1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(pyridin-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 455792
• Molecular Formular: C24H29N5O2
• Molecular Mass: 419.51936
• Monoisotopic Mass: 419.23212519
• SMILES: c1(c2c(n(n1)CCc1ccc(cc1)OC)CCN(C2)Cc1ncccc1)C(=O)N(C)C
• Canonical SMILES: COc1ccc(cc1)CCn1nc(c2c1CCN(C2)Cc1ccccn1)C(=O)N(C)C
• InChI: InChI=1S/C24H29N5O2/c1-27(2)24(30)23-21-17-28(16-19-6-4-5-13-25-19)14-12-22(21)29(26-23)15-11-18-7-9-20(31-3)10-8-18/h4-10,13H,11-12,14-17H2,1-3H3
• InChIKey: OBOMMUHFXLGFRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(pyridin-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(pyridin-2-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.6964351
• LogD (pH = 7.4): 2.1893945
• Log P: 2.2012691
• Molar Refractivity: 133.0657 cm^3
• Polarizability: 46.07105 Å^3
• Polar Surface Area: 63.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.41
• LOG S: -3.73
• Polar Surface Area: 63.49 Å^2
• Rotatable Bonds: 6