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

• ChemBase ID: 335916
• Molecular Formular: C24H25N7O2S
• Molecular Mass: 475.566
• Monoisotopic Mass: 475.17904408
• SMILES: c12c(nn(c1CCN(C(=O)c1nc3n(c1)cc(cc3)C)C2)CC1CC1)C(=O)NCc1nccs1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)N1CCc2c(C1)c(nn2CC1CC1)C(=O)NCc1nccs1
• InChI: InChI=1S/C24H25N7O2S/c1-15-2-5-20-27-18(14-30(20)11-15)24(33)29-8-6-19-17(13-29)22(28-31(19)12-16-3-4-16)23(32)26-10-21-25-7-9-34-21/h2,5,7,9,11,14,16H,3-4,6,8,10,12-13H2,1H3,(H,26,32)
• InChIKey: GBIDUSPTPAZDMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.700166
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.5284215
• LogD (pH = 7.4): 1.5373954
• Log P: 1.5375112
• Molar Refractivity: 140.984 cm^3
• Polarizability: 47.767483 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: 1.67
• LOG S: -7.11
• Polar Surface Area: 97.42 Å^2
• Rotatable Bonds: 6