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· · COA & SDS available for every product · Same-day shipping on in-stock items Abt-702 , CAS No.A667776
Synonyms
abt-702|Abt 702|5-(3-Bromophenyl)-7-(6-morpholinopyridin-3-yl)pyrido[2,3-d]pyrimidin-4-amine|5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine|Pyrido(2,3-d)pyrimidin-4-amine, 5-(3-bromophenyl)-7-(6-(4-morpholinyl)-3-pyridinyl)-|5-(3-bromophenyl)-7-[6-(morpholin-4-yl)pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-amine|4-Amino-5-(3-bromophenyl)-7-(6-morpholino-pyridin-3-yl)pyrido(2,3-d)pyrimidine|SDCCGSBI-0207131.P002|4-amino-5-(3-bromophenyl)-7-(6-morpholinopyridin-3-yl)pyrido(2,3-d)pyrimidine|5-(3-bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-4-ylamine|Pyrido(2,3-d)pyrimidine, 4-amino-5-(3-bromophenyl)-7-(6-morpholino-pyridin-3-yl)-
Specifications Synonyms
abt-702 | Abt 702 | 5-(3-Bromophenyl)-7-(6-morpholinopyridin-3-yl)pyrido[2,3-d]pyrimidin-4-amine | 5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine | Pyrido(2,3-d)pyrimidin-4-amine, 5-(3-bromophenyl)-7-(6-(4-morpholinyl)-3-pyridinyl)- | 5-(3-bromophenyl)-7-[6-(morpholin-4-yl)pyridin-3-yl]pyrido[2,3-d]p Show more
Product Properties Names and Identifiers Canonical Smiles
C1COCCN1C2=NC=C(C=C2)C3=NC4=NC=NC(=C4C(=C3)C5=CC(=CC=C5)Br)N
IUPAC Name
5-(3-bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-4-amine
InChIKey
RQCXKDWOCUJWQZ-UHFFFAOYSA-N
INCHI
1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)
Isomeric SMILES
C1COCCN1C2=NC=C(C=C2)C3=NC4=NC=NC(=C4C(=C3)C5=CC(=CC=C5)Br)N
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Pyridines and derivatives Subclass Bipyridines and oligopyridines Intermediate Tree Nodes Not available Direct Parent Bipyridines and oligopyridines Alternative Parents Phenylpyridines Pyrido[2,3-d]pyrimidines Dialkylarylamines Aminopyridines and derivatives Aminopyrimidines and derivatives Bromobenzenes Aryl bromides Morpholines Imidolactams Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organobromides Organopnictogen compounds Primary amines Molecular Framework Aromatic heteropolycyclic compounds Substituents Bipyridine - 4-phenylpyridine - Pyridopyrimidine - Pyrido[2,3-d]pyrimidine - Dialkylarylamine - Aminopyridine - Aminopyrimidine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Ether - Dialkyl ether - Oxacycle - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Amine - Organooxygen compound - Organic oxygen compound - Primary amine - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 463.300 g/mol XLogP3 3.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 3 Exact Mass 462.08 Da Monoisotopic Mass 462.08 Da Topological Polar Surface Area 90.100 Ų Heavy Atom Count 30 Formal Charge 0 Complexity 564.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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