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

• ChemBase ID: 859629
• Molecular Formular: C24H25N7O2S
• Molecular Mass: 475.566
• Monoisotopic Mass: 475.17904408
• SMILES: c1(c2c(n(n1)CC1CC1)CCN(C(=O)c1nc3n(c1)cccc3)C2)C(=O)N(Cc1ncsc1)C
• Canonical SMILES: O=C(c1nc2n(c1)cccc2)N1CCc2c(C1)c(nn2CC1CC1)C(=O)N(Cc1ncsc1)C
• InChI: InChI=1S/C24H25N7O2S/c1-28(11-17-14-34-15-25-17)24(33)22-18-12-30(9-7-20(18)31(27-22)10-16-5-6-16)23(32)19-13-29-8-3-2-4-21(29)26-19/h2-4,8,13-16H,5-7,9-12H2,1H3
• InChIKey: KAIRBXQWALDTOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.2514477
• LogD (pH = 7.4): 1.2560128
• Log P: 1.2560713
• Molar Refractivity: 140.9903 cm^3
• Polarizability: 47.84068 Å^3
• Polar Surface Area: 88.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.09
• LOG S: -4.7
• Polar Surface Area: 88.63 Å^2
• Rotatable Bonds: 6