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

• ChemBase ID: 673706
• Molecular Formular: C25H29N5O4S
• Molecular Mass: 495.59386
• Monoisotopic Mass: 495.19402543
• SMILES: c1(c2c(n(n1)CC1CC1)CCN(C(=O)c1c(c(OC)ccc1)OC)C2)C(=O)N(Cc1ncsc1)C
• Canonical SMILES: COc1cccc(c1OC)C(=O)N1CCc2c(C1)c(nn2CC1CC1)C(=O)N(Cc1ncsc1)C
• InChI: InChI=1S/C25H29N5O4S/c1-28(12-17-14-35-15-26-17)25(32)22-19-13-29(10-9-20(19)30(27-22)11-16-7-8-16)24(31)18-5-4-6-21(33-2)23(18)34-3/h4-6,14-16H,7-13H2,1-3H3
• InChIKey: JTADPHCGKIGTPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-5-(2,3-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-(2,3-dimethoxybenzoyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-5-(2,3-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: 49.924244 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: 1.58
• LOG S: -4.24
• Polar Surface Area: 89.79 Å^2
• Rotatable Bonds: 6