2-methoxy-N-{2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide

• ChemBase ID: 565300
• Molecular Formular: C18H22N4O4
• Molecular Mass: 358.39168
• Monoisotopic Mass: 358.1641052
• SMILES: n1c(onc1CCNC(=O)c1c(nc2c(c1)CCC2)OC)C1OCCC1
• Canonical SMILES: COc1nc2CCCc2cc1C(=O)NCCc1noc(n1)C1CCCO1
• InChI: InChI=1S/C18H22N4O4/c1-24-17-12(10-11-4-2-5-13(11)20-17)16(23)19-8-7-15-21-18(26-22-15)14-6-3-9-25-14/h10,14H,2-9H2,1H3,(H,19,23)
• InChIKey: DSPDTCPYNPBCSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-{2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
• IUPAC Traditional name: 2-methoxy-N-{2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
• Synonyms: 2-methoxy-N-{2-[5-(tetrahydro-2-furanyl)-1,2,4-oxadiazol-3-yl]ethyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.430231
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.7971641
• LogD (pH = 7.4): 1.7977054
• Log P: 1.7977127
• Molar Refractivity: 94.7295 cm^3
• Polarizability: 35.246372 Å^3
• Polar Surface Area: 99.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.16
• LOG S: -2.8
• Polar Surface Area: 99.37 Å^2
• Rotatable Bonds: 6