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

• ChemBase ID: 696082
• Molecular Formular: C19H18N6O2
• Molecular Mass: 362.38522
• Monoisotopic Mass: 362.14912385
• SMILES: C1(=O)C2(c3c(N1C)cccc3)CCN(C(=O)c1cn3c(nnn3)cc1)CC2
• Canonical SMILES: O=C1N(C)c2c(C31CCN(CC3)C(=O)c1ccc3n(c1)nnn3)cccc2
• InChI: InChI=1S/C19H18N6O2/c1-23-15-5-3-2-4-14(15)19(18(23)27)8-10-24(11-9-19)17(26)13-6-7-16-20-21-22-25(16)12-13/h2-7,12H,8-11H2,1H3
• InChIKey: FLXDZLHBOLGDMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1889759
• LogD (pH = 7.4): 1.188976
• Log P: 1.188976
• Molar Refractivity: 111.3357 cm^3
• Polarizability: 36.629215 Å^3
• Polar Surface Area: 83.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.28
• LOG S: -3.39
• Polar Surface Area: 83.7 Å^2
• Rotatable Bonds: 1