N-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-1-(3-methylbutyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 603116
• Molecular Formular: C23H34N4O3
• Molecular Mass: 414.54106
• Monoisotopic Mass: 414.26309097
• SMILES: c12c(nn(c1CCN(C2)Cc1cc(OC)ccc1)CCC(C)C)C(=O)NCCOC
• Canonical SMILES: COCCNC(=O)c1nn(c2c1CN(CC2)Cc1cccc(c1)OC)CCC(C)C
• InChI: InChI=1S/C23H34N4O3/c1-17(2)8-12-27-21-9-11-26(15-18-6-5-7-19(14-18)30-4)16-20(21)22(25-27)23(28)24-10-13-29-3/h5-7,14,17H,8-13,15-16H2,1-4H3,(H,24,28)
• InChIKey: FTXMAUOXPNVQEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-1-(3-methylbutyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-1-(3-methylbutyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-(3-methoxybenzyl)-N-(2-methoxyethyl)-1-(3-methylbutyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.083222
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.2405193
• LogD (pH = 7.4): 2.5426323
• Log P: 2.664602
• Molar Refractivity: 130.9462 cm^3
• Polarizability: 45.51464 Å^3
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 3.17
• LOG S: -4.57
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 7