5-{pyrazolo[1,5-a]pyridine-3-carbonyl}-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxylic acid

• ChemBase ID: 837819
• Molecular Formular: C15H13N5O3
• Molecular Mass: 311.29542
• Monoisotopic Mass: 311.1018393
• SMILES: N1(C(c2c([nH]cn2)CC1)C(=O)O)C(=O)c1c2n(nc1)cccc2
• Canonical SMILES: OC(=O)C1N(CCc2c1nc[nH]2)C(=O)c1cnn2c1cccc2
• InChI: InChI=1S/C15H13N5O3/c21-14(9-7-18-20-5-2-1-3-11(9)20)19-6-4-10-12(17-8-16-10)13(19)15(22)23/h1-3,5,7-8,13H,4,6H2,(H,16,17)(H,22,23)
• InChIKey: PYIVMJKKXDCHDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{pyrazolo[1,5-a]pyridine-3-carbonyl}-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxylic acid
• IUPAC Traditional name: 5-{pyrazolo[1,5-a]pyridine-3-carbonyl}-1H,4H,6H,7H-imidazo[4,5-c]pyridine-4-carboxylic acid
• Synonyms: 5-(pyrazolo[1,5-a]pyridin-3-ylcarbonyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid

CALCULATED PROPERTIES

JChem

• Acid pKa: 2.8624425
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.1814752
• LogD (pH = 7.4): -2.4294667
• Log P: -1.0476271
• Molar Refractivity: 91.1725 cm^3
• Polarizability: 30.41244 Å^3
• Polar Surface Area: 103.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.47
• LOG S: -1.52
• Polar Surface Area: 103.59 Å^2
• Rotatable Bonds: 2