N-[(3R)-1-benzylpyrrolidin-3-yl]-N-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 771727
• Molecular Formular: C20H26N4O
• Molecular Mass: 338.44664
• Monoisotopic Mass: 338.21066147
• SMILES: c1(C(=O)N([C@H]2CN(CC2)Cc2ccccc2)C)c2n(nc1)CCCC2
• Canonical SMILES: CN(C(=O)c1cnn2c1CCCC2)[C@@H]1CCN(C1)Cc1ccccc1
• InChI: InChI=1S/C20H26N4O/c1-22(20(25)18-13-21-24-11-6-5-9-19(18)24)17-10-12-23(15-17)14-16-7-3-2-4-8-16/h2-4,7-8,13,17H,5-6,9-12,14-15H2,1H3/t17-/m1/s1
• InChIKey: OYDIPWSIFCHZBH-QGZVFWFLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3R)-1-benzylpyrrolidin-3-yl]-N-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-[(3R)-1-benzylpyrrolidin-3-yl]-N-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-[(3R)-1-benzylpyrrolidin-3-yl]-N-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5531305
• LogD (pH = 7.4): 1.2210244
• Log P: 2.0835373
• Molar Refractivity: 111.5746 cm^3
• Polarizability: 37.891006 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.56
• LOG S: -3.0
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 4