WAY-311610 - ≥98% , CAS No.314051-55-3

CAS: 314051-55-3 Cat. No.: W416900 Formula: C₁₆H₁₃F₃N₄O₂ Peso molecolare: 350.3 PubChem CID: 1070328

QUALITÀ & PUREZZA ≥98%

Synonyms

[5-(2-furanyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1-pyrrolidinyl-Methanone

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

11β-hydroxysteroid dehydrogenase type I modulator; sodium channel inhibitors.

Specifiche

Sinonimi

[5-(2-furanyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1-pyrrolidinyl-Methanone

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Proprietà del prodotto

ALogP

3.119

Legame rotabile

3

Nomi e identificatori

Pubchem Sid

488191709

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191709

Sorrisi canonici

C1CCN(C1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CO4)C(F)(F)F

IUPAC Name

[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone

InChIKey

YZEIHZPMIUPJRH-UHFFFAOYSA-N

INCHI

1S/C16H13F3N4O2/c17-16(18,19)13-8-10(12-4-3-7-25-12)20-14-9-11(21-23(13)14)15(24)22-5-1-2-6-22/h3-4,7-9H,1-2,5-6H2

Isomeri SMILES

C1CCN(C1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CO4)C(F)(F)F

PubChem CID

1070328

Peso molecolare

350.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrazolopyrimidines
      • Subclass Pyrazolo[1,5-a]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrazolopyrimidines
• Subclass: Pyrazolo[1,5-a]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolo[1,5-a]pyrimidines
• Alternative Parents: Pyrazole-5-carboxamides 2-heteroaryl carboxamides N-acylpyrrolidines Pyrimidines and pyrimidine derivatives Tertiary carboxylic acid amides Furans Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Alkyl fluorides Organic oxides Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolo[1,5-a]pyrimidine - 2-heteroaryl carboxamide - N-acylpyrrolidine - Pyrazole-5-carboxamide - Pyrimidine - Azole - Furan - Pyrazole - Pyrrolidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Azacycle - Oxacycle - Carboxylic acid derivative - Alkyl fluoride - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine ring.
• 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.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 350.290 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 350.099 Da
• Monoisotopic Mass: 350.099 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 512.000
• 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