4-{1-benzyl-5-[(4-methoxyphenyl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}morpholine

• ChemBase ID: 576380
• Molecular Formular: C26H30N4O3
• Molecular Mass: 446.5414
• Monoisotopic Mass: 446.23179084
• SMILES: c1(c2c(n(n1)Cc1ccccc1)CCN(C2)Cc1ccc(cc1)OC)C(=O)N1CCOCC1
• Canonical SMILES: COc1ccc(cc1)CN1CCc2c(C1)c(nn2Cc1ccccc1)C(=O)N1CCOCC1
• InChI: InChI=1S/C26H30N4O3/c1-32-22-9-7-21(8-10-22)17-28-12-11-24-23(19-28)25(26(31)29-13-15-33-16-14-29)27-30(24)18-20-5-3-2-4-6-20/h2-10H,11-19H2,1H3
• InChIKey: KEWCVPGZFYFZEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-benzyl-5-[(4-methoxyphenyl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}morpholine
• IUPAC Traditional name: 4-{1-benzyl-5-[(4-methoxyphenyl)methyl]-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}morpholine
• Synonyms: 1-benzyl-5-(4-methoxybenzyl)-3-(4-morpholinylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.4369646
• LogD (pH = 7.4): 2.716013
• Log P: 2.830308
• Molar Refractivity: 140.0643 cm^3
• Polarizability: 48.851803 Å^3
• Polar Surface Area: 59.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.75
• LOG S: -3.12
• Polar Surface Area: 59.83 Å^2
• Rotatable Bonds: 5