3-methyl-7-{pyrazolo[1,5-a]pyridine-3-carbonyl}-1-oxa-3,7-diazaspiro[4.5]decan-2-one

• ChemBase ID: 761013
• Molecular Formular: C16H18N4O3
• Molecular Mass: 314.33912
• Monoisotopic Mass: 314.13789046
• SMILES: c1(C(=O)N2CC3(OC(=O)N(C3)C)CCC2)c2n(nc1)cccc2
• Canonical SMILES: O=C1OC2(CN1C)CCCN(C2)C(=O)c1cnn2c1cccc2
• InChI: InChI=1S/C16H18N4O3/c1-18-10-16(23-15(18)22)6-4-7-19(11-16)14(21)12-9-17-20-8-3-2-5-13(12)20/h2-3,5,8-9H,4,6-7,10-11H2,1H3
• InChIKey: VNECLTJZHQSXQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-7-{pyrazolo[1,5-a]pyridine-3-carbonyl}-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 3-methyl-7-{pyrazolo[1,5-a]pyridine-3-carbonyl}-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• Synonyms: 3-methyl-7-(pyrazolo[1,5-a]pyridin-3-ylcarbonyl)-1-oxa-3,7-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8838031
• LogD (pH = 7.4): 0.88381356
• Log P: 0.88381374
• Molar Refractivity: 93.8954 cm^3
• Polarizability: 32.00385 Å^3
• Polar Surface Area: 67.15 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: -0.03
• LOG S: -2.78
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 1