1-benzyl-N,N-dimethyl-5-(quinolin-4-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 534082
• Molecular Formular: C26H27N5O
• Molecular Mass: 425.52548
• Monoisotopic Mass: 425.22156051
• SMILES: c1(c2c(n(n1)Cc1ccccc1)CCN(C2)Cc1c2c(ncc1)cccc2)C(=O)N(C)C
• Canonical SMILES: O=C(c1nn(c2c1CN(CC2)Cc1ccnc2c1cccc2)Cc1ccccc1)N(C)C
• InChI: InChI=1S/C26H27N5O/c1-29(2)26(32)25-22-18-30(17-20-12-14-27-23-11-7-6-10-21(20)23)15-13-24(22)31(28-25)16-19-8-4-3-5-9-19/h3-12,14H,13,15-18H2,1-2H3
• InChIKey: SPVATOOAFCICIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-N,N-dimethyl-5-(quinolin-4-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-benzyl-N,N-dimethyl-5-(quinolin-4-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-benzyl-N,N-dimethyl-5-(4-quinolinylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Log P: 3.3641346
• Molar Refractivity: 138.4479 cm^3
• Polarizability: 49.334812 Å^3
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3996357
• LogD (pH = 7.4): 3.0262132

供应商提供(Chembridge)

• Log P: 2.55
• LOG S: -4.31
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 5
• H Acceptors: 5
• H Donor: 0