5-[2-(2-chlorophenyl)acetyl]-1-(cyclopropylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 707292
• Molecular Formular: C24H26ClN5O2S
• Molecular Mass: 484.01354
• Monoisotopic Mass: 483.14957378
• SMILES: c1(c2c(n(n1)CC1CC1)CCN(C2)C(=O)Cc1c(Cl)cccc1)C(=O)N(Cc1ncsc1)C
• Canonical SMILES: O=C(N1CCc2c(C1)c(nn2CC1CC1)C(=O)N(Cc1ncsc1)C)Cc1ccccc1Cl
• InChI: InChI=1S/C24H26ClN5O2S/c1-28(12-18-14-33-15-26-18)24(32)23-19-13-29(22(31)10-17-4-2-3-5-20(17)25)9-8-21(19)30(27-23)11-16-6-7-16/h2-5,14-16H,6-13H2,1H3
• InChIKey: PSXFDFGCSVFJSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-(2-chlorophenyl)acetyl]-1-(cyclopropylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-[2-(2-chlorophenyl)acetyl]-1-(cyclopropylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-[(2-chlorophenyl)acetyl]-1-(cyclopropylmethyl)-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: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6679833
• LogD (pH = 7.4): 2.6681256
• Log P: 2.6681275
• Molar Refractivity: 140.3401 cm^3
• Polarizability: 48.78983 Å^3
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.69
• LOG S: -5.08
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 7