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

• ChemBase ID: 484028
• Molecular Formular: C23H32N4O3
• Molecular Mass: 412.52518
• Monoisotopic Mass: 412.2474409
• SMILES: c12c(nn(c1CCN(C2)Cc1cc(c(cc1)OC)OCC)CC1CC1)C(=O)NCC
• Canonical SMILES: CCNC(=O)c1nn(c2c1CN(CC2)Cc1ccc(c(c1)OCC)OC)CC1CC1
• InChI: InChI=1S/C23H32N4O3/c1-4-24-23(28)22-18-15-26(11-10-19(18)27(25-22)14-16-6-7-16)13-17-8-9-20(29-3)21(12-17)30-5-2/h8-9,12,16H,4-7,10-11,13-15H2,1-3H3,(H,24,28)
• InChIKey: YMMUQBGGEYXMDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.118092
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.2659619
• LogD (pH = 7.4): 2.3671818
• Log P: 2.4371812
• Molar Refractivity: 129.3829 cm^3
• Polarizability: 44.774185 Å^3
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.89
• LOG S: -4.9
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 5