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

• ChemBase ID: 491252
• Molecular Formular: C23H33N5O3
• Molecular Mass: 427.53982
• Monoisotopic Mass: 427.25833994
• SMILES: c12c(nn(c1CCN(C2)CCN1CCOCC1)Cc1cc(OC)ccc1)C(=O)NCC
• Canonical SMILES: CCNC(=O)c1nn(c2c1CN(CCN1CCOCC1)CC2)Cc1cccc(c1)OC
• InChI: InChI=1S/C23H33N5O3/c1-3-24-23(29)22-20-17-27(10-9-26-11-13-31-14-12-26)8-7-21(20)28(25-22)16-18-5-4-6-19(15-18)30-2/h4-6,15H,3,7-14,16-17H2,1-2H3,(H,24,29)
• InChIKey: LENCTLLKCVVYKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.110239
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.8022131
• LogD (pH = 7.4): 0.86620796
• Log P: 1.2576114
• Molar Refractivity: 133.3227 cm^3
• Polarizability: 46.318943 Å^3
• Polar Surface Area: 71.86 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.75
• LOG S: -2.48
• Polar Surface Area: 71.86 Å^2
• Rotatable Bonds: 6