N-{2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-4-(pyridin-4-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carboxamide

• ChemBase ID: 510170
• Molecular Formular: C19H21N7O
• Molecular Mass: 363.41634
• Monoisotopic Mass: 363.18075833
• SMILES: c1(NC(=O)N2C(c3c([nH]cn3)CC2)c2ccncc2)c2c(nn1C)CCC2
• Canonical SMILES: O=C(N1CCc2c(C1c1ccncc1)nc[nH]2)Nc1n(C)nc2c1CCC2
• InChI: InChI=1S/C19H21N7O/c1-25-18(13-3-2-4-14(13)24-25)23-19(27)26-10-7-15-16(22-11-21-15)17(26)12-5-8-20-9-6-12/h5-6,8-9,11,17H,2-4,7,10H2,1H3,(H,21,22)(H,23,27)
• InChIKey: ISEBOSCMEYEQSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-4-(pyridin-4-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carboxamide
• IUPAC Traditional name: N-{2-methyl-4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-4-(pyridin-4-yl)-1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carboxamide
• Synonyms: N-(2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4-pyridin-4-yl-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.312398
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.31500643
• LogD (pH = 7.4): 0.848017
• Log P: 0.86093545
• Molar Refractivity: 112.5489 cm^3
• Polarizability: 37.627182 Å^3
• Polar Surface Area: 91.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.12
• LOG S: -1.96
• Polar Surface Area: 91.73 Å^2
• Rotatable Bonds: 2