7-{imidazo[1,2-b]pyridazine-3-carbonyl}-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one

• ChemBase ID: 673064
• Molecular Formular: C15H17N5O3
• Molecular Mass: 315.32718
• Monoisotopic Mass: 315.13313943
• SMILES: c1(n2c(nc1)cccn2)C(=O)N1CC2(OC(=O)N(C2)C)CCC1
• Canonical SMILES: O=C1OC2(CN1C)CCCN(C2)C(=O)c1cnc2n1nccc2
• InChI: InChI=1S/C15H17N5O3/c1-18-9-15(23-14(18)22)5-3-7-19(10-15)13(21)11-8-16-12-4-2-6-17-20(11)12/h2,4,6,8H,3,5,7,9-10H2,1H3
• InChIKey: URBRHIQRLGAZQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{imidazo[1,2-b]pyridazine-3-carbonyl}-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 7-{imidazo[1,2-b]pyridazine-3-carbonyl}-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• Synonyms: 7-(imidazo[1,2-b]pyridazin-3-ylcarbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.04646165
• LogD (pH = 7.4): -0.04639636
• Log P: -0.046395525
• Molar Refractivity: 91.5686 cm^3
• Polarizability: 30.517464 Å^3
• Polar Surface Area: 80.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.7
• LOG S: -2.21
• Polar Surface Area: 80.04 Å^2
• Rotatable Bonds: 1