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

• ChemBase ID: 673039
• Molecular Formular: C23H25F3N4O
• Molecular Mass: 430.4660096
• Monoisotopic Mass: 430.1980461
• SMILES: c1(c2c(n(n1)CCC(F)(F)F)CCN(C2)Cc1c2c(ccc1)cccc2)C(=O)N(C)C
• Canonical SMILES: CN(C(=O)c1nn(c2c1CN(CC2)Cc1cccc2c1cccc2)CCC(F)(F)F)C
• InChI: InChI=1S/C23H25F3N4O/c1-28(2)22(31)21-19-15-29(12-10-20(19)30(27-21)13-11-23(24,25)26)14-17-8-5-7-16-6-3-4-9-18(16)17/h3-9H,10-15H2,1-2H3
• InChIKey: CGMOPDODYBETJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0789151
• LogD (pH = 7.4): 2.8067353
• Log P: 3.3243606
• Molar Refractivity: 126.2661 cm^3
• Polarizability: 43.393963 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.53
• LOG S: -5.17
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 5