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

• ChemBase ID: 649751
• Molecular Formular: C25H29N5O4S
• Molecular Mass: 495.59386
• Monoisotopic Mass: 495.19402543
• SMILES: c1(c2c(n(n1)CC1CC1)CCN(C(=O)c1c(ccc(c1)OC)OC)C2)C(=O)N(Cc1ncsc1)C
• Canonical SMILES: COc1ccc(c(c1)C(=O)N1CCc2c(C1)c(nn2CC1CC1)C(=O)N(Cc1ncsc1)C)OC
• InChI: InChI=1S/C25H29N5O4S/c1-28(12-17-14-35-15-26-17)25(32)23-20-13-29(9-8-21(20)30(27-23)11-16-4-5-16)24(31)19-10-18(33-2)6-7-22(19)34-3/h6-7,10,14-16H,4-5,8-9,11-13H2,1-3H3
• InChIKey: XUQJGJBCDDCQNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-5-(2,5-dimethoxybenzoyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-(cyclopropylmethyl)-5-(2,5-dimethoxybenzoyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-5-(2,5-dimethoxybenzoyl)-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: 6
• H Donor: 0
• LogD (pH = 5.5): 1.7684306
• LogD (pH = 7.4): 1.768573
• Log P: 1.7685748
• Molar Refractivity: 144.4103 cm^3
• Polarizability: 49.92192 Å^3
• Polar Surface Area: 89.79 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: 1.93
• LOG S: -4.29
• Polar Surface Area: 89.79 Å^2
• Rotatable Bonds: 6