N-(1-methyl-1H-indazol-6-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide

• ChemBase ID: 754681
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: C(=O)(N1CC(OCc2cnccc2)CCC1)Nc1cc2n(ncc2cc1)C
• Canonical SMILES: O=C(N1CCCC(C1)OCc1cccnc1)Nc1ccc2c(c1)n(C)nc2
• InChI: InChI=1S/C20H23N5O2/c1-24-19-10-17(7-6-16(19)12-22-24)23-20(26)25-9-3-5-18(13-25)27-14-15-4-2-8-21-11-15/h2,4,6-8,10-12,18H,3,5,9,13-14H2,1H3,(H,23,26)
• InChIKey: GSPSFAHDRUXTGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methyl-1H-indazol-6-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
• IUPAC Traditional name: N-(1-methylindazol-6-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
• Synonyms: N-(1-methyl-1H-indazol-6-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.976175
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.636727
• LogD (pH = 7.4): 1.6960638
• Log P: 1.6968905
• Molar Refractivity: 115.3326 cm^3
• Polarizability: 40.27415 Å^3
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.29
• LOG S: -1.67
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 4