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

• ChemBase ID: 769139
• Molecular Formular: C24H27N5O2S
• Molecular Mass: 449.56848
• Monoisotopic Mass: 449.18854613
• SMILES: c1(c2c(n(n1)CC1CC1)CCN(C2)C(=O)c1cc(ccc1)C)C(=O)N(Cc1ncsc1)C
• Canonical SMILES: Cc1cccc(c1)C(=O)N1CCc2c(C1)c(nn2CC1CC1)C(=O)N(Cc1cscn1)C
• InChI: InChI=1S/C24H27N5O2S/c1-16-4-3-5-18(10-16)23(30)28-9-8-21-20(13-28)22(26-29(21)11-17-6-7-17)24(31)27(2)12-19-14-32-15-25-19/h3-5,10,14-15,17H,6-9,11-13H2,1-2H3
• InChIKey: GYPAPMCWRYRZKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-N-methyl-5-(3-methylbenzoyl)-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-(3-methylbenzoyl)-N-(1,3-thiazol-4-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-N-methyl-5-(3-methylbenzoyl)-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): 2.5971944
• LogD (pH = 7.4): 2.597337
• Log P: 2.5973387
• Molar Refractivity: 136.5251 cm^3
• Polarizability: 46.598774 Å^3
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.18
• LOG S: -5.0
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 6