N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}-3-(1H-1,2,3,4-tetrazol-1-yl)propanamide

• ChemBase ID: 694831
• Molecular Formular: C12H13N7O
• Molecular Mass: 271.27792
• Monoisotopic Mass: 271.11815807
• SMILES: n1nn(cn1)CCC(=O)NCc1c2n(nc1)cccc2
• Canonical SMILES: O=C(CCn1cnnn1)NCc1cnn2c1cccc2
• InChI: InChI=1S/C12H13N7O/c20-12(4-6-18-9-14-16-17-18)13-7-10-8-15-19-5-2-1-3-11(10)19/h1-3,5,8-9H,4,6-7H2,(H,13,20)
• InChIKey: WVFPASBQCXYZRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}-3-(1H-1,2,3,4-tetrazol-1-yl)propanamide
• IUPAC Traditional name: N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}-3-(1,2,3,4-tetrazol-1-yl)propanamide
• Synonyms: N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(1H-tetrazol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.754638
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.26120573
• LogD (pH = 7.4): -0.26114923
• Log P: -0.2611485
• Molar Refractivity: 95.57 cm^3
• Polarizability: 27.216272 Å^3
• Polar Surface Area: 90.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.3
• LOG S: -2.23
• Polar Surface Area: 90.0 Å^2
• Rotatable Bonds: 5