N-(3-phenylpropyl)-5-(propan-2-yl)-1-(pyridin-4-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 382197
• Molecular Formular: C25H31N5O
• Molecular Mass: 417.54654
• Monoisotopic Mass: 417.25286064
• SMILES: c12c(nn(c1CCN(C2)C(C)C)Cc1ccncc1)C(=O)NCCCc1ccccc1
• Canonical SMILES: CC(N1CCc2c(C1)c(nn2Cc1ccncc1)C(=O)NCCCc1ccccc1)C
• InChI: InChI=1S/C25H31N5O/c1-19(2)29-16-12-23-22(18-29)24(28-30(23)17-21-10-14-26-15-11-21)25(31)27-13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,14-15,19H,6,9,12-13,16-18H2,1-2H3,(H,27,31)
• InChIKey: MELWCHKMDKVWAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-phenylpropyl)-5-(propan-2-yl)-1-(pyridin-4-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-isopropyl-N-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-isopropyl-N-(3-phenylpropyl)-1-(4-pyridinylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.106224
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0468849
• LogD (pH = 7.4): 2.8735108
• Log P: 3.2717443
• Molar Refractivity: 135.9964 cm^3
• Polarizability: 47.31984 Å^3
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.8
• LOG S: -5.67
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 7