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

• ChemBase ID: 617086
• Molecular Formular: C24H31N7O2S
• Molecular Mass: 481.61364
• Monoisotopic Mass: 481.22599427
• SMILES: c1(c2c(n(n1)CC1CC1)CCN(C(=O)c1n(nc(c1)CCC)C)C2)C(=O)N(Cc1ncsc1)C
• Canonical SMILES: CCCc1nn(c(c1)C(=O)N1CCc2c(C1)c(nn2CC1CC1)C(=O)N(Cc1cscn1)C)C
• InChI: InChI=1S/C24H31N7O2S/c1-4-5-17-10-21(29(3)26-17)23(32)30-9-8-20-19(13-30)22(27-31(20)11-16-6-7-16)24(33)28(2)12-18-14-34-15-25-18/h10,14-16H,4-9,11-13H2,1-3H3
• InChIKey: OJEUBFVIBPDYHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-N-methyl-5-(1-methyl-3-propyl-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)-N-methyl-5-(2-methyl-5-propylpyrazole-3-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-N-methyl-5-[(1-methyl-3-propyl-1H-pyrazol-5-yl)carbonyl]-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): 1.7080204
• LogD (pH = 7.4): 1.7082503
• Log P: 1.7082533
• Molar Refractivity: 154.0842 cm^3
• Polarizability: 48.900383 Å^3
• Polar Surface Area: 89.15 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.86
• LOG S: -5.46
• Polar Surface Area: 89.15 Å^2
• Rotatable Bonds: 6