N-cyclopropyl-1-(1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}piperidin-4-yl)piperidine-3-carboxamide

• ChemBase ID: 709699
• Molecular Formular: C20H27N7O2
• Molecular Mass: 397.47408
• Monoisotopic Mass: 397.22262314
• SMILES: c12n(nnn1)ccc(C(=O)N1CCC(N3CC(C(=O)NC4CC4)CCC3)CC1)c2
• Canonical SMILES: O=C(C1CCCN(C1)C1CCN(CC1)C(=O)c1ccn2c(c1)nnn2)NC1CC1
• InChI: InChI=1S/C20H27N7O2/c28-19(21-16-3-4-16)15-2-1-8-26(13-15)17-6-9-25(10-7-17)20(29)14-5-11-27-18(12-14)22-23-24-27/h5,11-12,15-17H,1-4,6-10,13H2,(H,21,28)
• InChIKey: IGTYMVCRROBUMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-(1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}piperidin-4-yl)piperidine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-(1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}piperidin-4-yl)piperidine-3-carboxamide
• Synonyms: N-cyclopropyl-1'-(tetrazolo[1,5-a]pyridin-7-ylcarbonyl)-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.536517
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -3.1092012
• LogD (pH = 7.4): -1.7278509
• Log P: 0.23904723
• Molar Refractivity: 120.6317 cm^3
• Polarizability: 40.752857 Å^3
• Polar Surface Area: 95.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -1.24
• LOG S: -2.35
• Polar Surface Area: 95.73 Å^2
• Rotatable Bonds: 4