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

• ChemBase ID: 729130
• Molecular Formular: C24H27N5O2S
• Molecular Mass: 449.56848
• Monoisotopic Mass: 449.18854613
• SMILES: c1(c2c(n(n1)CC1CC1)CCN(C2)C(=O)Cc1ccccc1)C(=O)N(Cc1ncsc1)C
• Canonical SMILES: O=C(N1CCc2c(C1)c(nn2CC1CC1)C(=O)N(Cc1ncsc1)C)Cc1ccccc1
• InChI: InChI=1S/C24H27N5O2S/c1-27(13-19-15-32-16-25-19)24(31)23-20-14-28(22(30)11-17-5-3-2-4-6-17)10-9-21(20)29(26-23)12-18-7-8-18/h2-6,15-16,18H,7-14H2,1H3
• InChIKey: OKZVMYMQRUFZRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-N-methyl-5-(2-phenylacetyl)-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-phenylacetyl)-N-(1,3-thiazol-4-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-N-methyl-5-(phenylacetyl)-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): 2.0639386
• LogD (pH = 7.4): 2.064081
• Log P: 2.0640829
• Molar Refractivity: 135.5353 cm^3
• Polarizability: 46.88544 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: 2.98
• LOG S: -4.5
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 7