7-{furo[3,2-c]pyridin-4-yl}-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one

• ChemBase ID: 652855
• Molecular Formular: C15H17N3O3
• Molecular Mass: 287.31378
• Monoisotopic Mass: 287.12699142
• SMILES: C1(=O)N(CC2(O1)CN(c1c3c(occ3)ccn1)CCC2)C
• Canonical SMILES: O=C1OC2(CN1C)CCCN(C2)c1nccc2c1cco2
• InChI: InChI=1S/C15H17N3O3/c1-17-9-15(21-14(17)19)5-2-7-18(10-15)13-11-4-8-20-12(11)3-6-16-13/h3-4,6,8H,2,5,7,9-10H2,1H3
• InChIKey: YDJGAWOMRYHGOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{furo[3,2-c]pyridin-4-yl}-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 7-{furo[3,2-c]pyridin-4-yl}-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• Synonyms: 7-furo[3,2-c]pyridin-4-yl-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5134516
• LogD (pH = 7.4): 1.6968635
• Log P: 1.6998365
• Molar Refractivity: 76.53 cm^3
• Polarizability: 30.136974 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.31
• LOG S: -2.41
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 1