N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

• ChemBase ID: 688271
• Molecular Formular: C17H26N6O3
• Molecular Mass: 362.42674
• Monoisotopic Mass: 362.20663872
• SMILES: c1(n2c(nn1)CCCC2)C(=O)NC1CCN(C(=O)N2CCOCC2)CC1
• Canonical SMILES: O=C(N1CCOCC1)N1CCC(CC1)NC(=O)c1nnc2n1CCCC2
• InChI: InChI=1S/C17H26N6O3/c24-16(15-20-19-14-3-1-2-6-23(14)15)18-13-4-7-21(8-5-13)17(25)22-9-11-26-12-10-22/h13H,1-12H2,(H,18,24)
• InChIKey: FNHIRFGSTSOBGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
• Synonyms: N-[1-(morpholin-4-ylcarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.920854
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.4865673
• LogD (pH = 7.4): -1.4864976
• Log P: -1.4864956
• Molar Refractivity: 96.7819 cm^3
• Polarizability: 35.708256 Å^3
• Polar Surface Area: 92.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.56
• LOG S: -2.67
• Polar Surface Area: 92.59 Å^2
• Rotatable Bonds: 2