8-{[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 408663
• Molecular Formular: C20H25N5O3
• Molecular Mass: 383.4442
• Monoisotopic Mass: 383.19573969
• SMILES: c1(c(n2c(n1)cccc2)CN1CCC2(OC(=O)NC2)CC1)C(=O)N1CCCC1
• Canonical SMILES: O=C1NCC2(O1)CCN(CC2)Cc1c(nc2n1cccc2)C(=O)N1CCCC1
• InChI: InChI=1S/C20H25N5O3/c26-18(24-8-3-4-9-24)17-15(25-10-2-1-5-16(25)22-17)13-23-11-6-20(7-12-23)14-21-19(27)28-20/h1-2,5,10H,3-4,6-9,11-14H2,(H,21,27)
• InChIKey: ZGXLSRFCRGRDSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-{[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-{[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-{[2-(pyrrolidin-1-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.641352
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9266984
• LogD (pH = 7.4): -0.27000672
• Log P: 0.11214684
• Molar Refractivity: 104.7672 cm^3
• Polarizability: 39.50619 Å^3
• Polar Surface Area: 79.18 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.25
• LOG S: -3.52
• Polar Surface Area: 79.18 Å^2
• Rotatable Bonds: 3