1-(cyclopropylmethyl)-N-methyl-5-[1-methyl-3-(propan-2-yl)-1H-pyrazole-5-carbonyl]-N-(1,3-thiazol-4-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 432903
• Molecular Formular: C24H31N7O2S
• Molecular Mass: 481.61364
• Monoisotopic Mass: 481.22599427
• SMILES: c1(c2c(n(n1)CC1CC1)CCN(C(=O)c1n(nc(c1)C(C)C)C)C2)C(=O)N(Cc1ncsc1)C
• Canonical SMILES: CC(c1cc(n(n1)C)C(=O)N1CCc2c(C1)c(nn2CC1CC1)C(=O)N(Cc1ncsc1)C)C
• InChI: InChI=1S/C24H31N7O2S/c1-15(2)19-9-21(29(4)26-19)23(32)30-8-7-20-18(12-30)22(27-31(20)10-16-5-6-16)24(33)28(3)11-17-13-34-14-25-17/h9,13-16H,5-8,10-12H2,1-4H3
• InChIKey: BXJMUJNDIMCYDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-N-methyl-5-[1-methyl-3-(propan-2-yl)-1H-pyrazole-5-carbonyl]-N-(1,3-thiazol-4-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-(cyclopropylmethyl)-5-(5-isopropyl-2-methylpyrazole-3-carbonyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-5-[(3-isopropyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-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): 1.8064533
• LogD (pH = 7.4): 1.8066682
• Log P: 1.8066709
• Molar Refractivity: 154.0577 cm^3
• Polarizability: 48.90009 Å^3
• Polar Surface Area: 89.15 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.74
• LOG S: -5.58
• Polar Surface Area: 89.15 Å^2
• Rotatable Bonds: 6