4-[2-methyl-1-(3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidin-1-yl)propan-2-yl]morpholine

• ChemBase ID: 761997
• Molecular Formular: C19H29N5O
• Molecular Mass: 343.46646
• Monoisotopic Mass: 343.23721057
• SMILES: c1(n2c(nn1)cccc2)C1CN(CC(N2CCOCC2)(C)C)CCC1
• Canonical SMILES: CC(N1CCOCC1)(CN1CCCC(C1)c1nnc2n1cccc2)C
• InChI: InChI=1S/C19H29N5O/c1-19(2,23-10-12-25-13-11-23)15-22-8-5-6-16(14-22)18-21-20-17-7-3-4-9-24(17)18/h3-4,7,9,16H,5-6,8,10-15H2,1-2H3
• InChIKey: GJDHJJMFUQMAGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-methyl-1-(3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidin-1-yl)propan-2-yl]morpholine
• IUPAC Traditional name: 4-[2-methyl-1-(3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidin-1-yl)propan-2-yl]morpholine
• Synonyms: 3-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl][1,2,4]triazolo[4,3-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.35162
• LogD (pH = 7.4): -0.9945821
• Log P: 1.0619916
• Molar Refractivity: 102.3162 cm^3
• Polarizability: 38.553093 Å^3
• Polar Surface Area: 45.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.04
• LOG S: -2.44
• Polar Surface Area: 45.9 Å^2
• Rotatable Bonds: 4