1-benzyl-5-[(3-methoxyphenyl)methyl]-N,N-dimethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 580375
• Molecular Formular: C24H28N4O2
• Molecular Mass: 404.50472
• Monoisotopic Mass: 404.22122616
• SMILES: c1(c2c(n(n1)Cc1ccccc1)CCN(C2)Cc1cc(OC)ccc1)C(=O)N(C)C
• Canonical SMILES: COc1cccc(c1)CN1CCc2c(C1)c(nn2Cc1ccccc1)C(=O)N(C)C
• InChI: InChI=1S/C24H28N4O2/c1-26(2)24(29)23-21-17-27(15-19-10-7-11-20(14-19)30-3)13-12-22(21)28(25-23)16-18-8-5-4-6-9-18/h4-11,14H,12-13,15-17H2,1-3H3
• InChIKey: ZLZGWEYYXUMADZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-5-[(3-methoxyphenyl)methyl]-N,N-dimethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-benzyl-5-[(3-methoxyphenyl)methyl]-N,N-dimethyl-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-benzyl-5-(3-methoxybenzyl)-N,N-dimethyl-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): 1.6465522
• LogD (pH = 7.4): 2.932331
• Log P: 3.0488086
• Molar Refractivity: 130.9898 cm^3
• Polarizability: 45.205906 Å^3
• Polar Surface Area: 50.6 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: 2.58
• LOG S: -3.64
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 5