1-(cyclopropylmethyl)-5-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}-N-(pyridin-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 321687
• Molecular Formular: C26H27N7O2
• Molecular Mass: 469.53828
• Monoisotopic Mass: 469.22262314
• SMILES: c12c(nn(c1CCN(C(=O)c1nc3n(c1)cc(cc3)C)C2)CC1CC1)C(=O)NCc1ncccc1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)N1CCc2c(C1)c(nn2CC1CC1)C(=O)NCc1ccccn1
• InChI: InChI=1S/C26H27N7O2/c1-17-5-8-23-29-21(16-32(23)13-17)26(35)31-11-9-22-20(15-31)24(30-33(22)14-18-6-7-18)25(34)28-12-19-4-2-3-10-27-19/h2-5,8,10,13,16,18H,6-7,9,11-12,14-15H2,1H3,(H,28,34)
• InChIKey: SCDUXQVIHBRKTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-5-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}-N-(pyridin-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-(cyclopropylmethyl)-5-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}-N-(pyridin-2-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.839115
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6424891
• LogD (pH = 7.4): 1.6690068
• Log P: 1.6693515
• Molar Refractivity: 143.7695 cm^3
• Polarizability: 49.04082 Å^3
• Polar Surface Area: 97.42 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.6
• LOG S: -7.37
• Polar Surface Area: 97.42 Å^2
• Rotatable Bonds: 6