1-methyl-1'-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one

• ChemBase ID: 439356
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: C12(C(=O)N(c3c1cccc3)C)CN(C(=O)c1c3n(nc1)CCCC3)CCC2
• Canonical SMILES: O=C1N(C)c2c(C31CCCN(C3)C(=O)c1cnn3c1CCCC3)cccc2
• InChI: InChI=1S/C21H24N4O2/c1-23-18-9-3-2-7-16(18)21(20(23)27)10-6-11-24(14-21)19(26)15-13-22-25-12-5-4-8-17(15)25/h2-3,7,9,13H,4-6,8,10-12,14H2,1H3
• InChIKey: CYDRONCSULWBMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1'-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one
• IUPAC Traditional name: 1-methyl-1'-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}spiro[indole-3,3'-piperidine]-2-one
• Synonyms: 1-methyl-1'-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbonyl)spiro[indole-3,3'-piperidin]-2(1H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6361383
• LogD (pH = 7.4): 1.6361759
• Log P: 1.6361763
• Molar Refractivity: 114.5354 cm^3
• Polarizability: 38.68355 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.68
• LOG S: -3.29
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 1