2-(cyclopropylmethyl)-8-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 511033
• Molecular Formular: C22H30N4O
• Molecular Mass: 366.4998
• Monoisotopic Mass: 366.2419616
• SMILES: c12n(cc(n1)CN1CC3(CN(C(=O)CC3)CC3CC3)CCC1)cccc2C
• Canonical SMILES: O=C1CCC2(CN1CC1CC1)CCCN(C2)Cc1cn2c(n1)c(C)ccc2
• InChI: InChI=1S/C22H30N4O/c1-17-4-2-11-25-14-19(23-21(17)25)13-24-10-3-8-22(15-24)9-7-20(27)26(16-22)12-18-5-6-18/h2,4,11,14,18H,3,5-10,12-13,15-16H2,1H3
• InChIKey: FBBUUULCLCBCLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopropylmethyl)-8-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(cyclopropylmethyl)-8-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(cyclopropylmethyl)-8-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.046166796
• LogD (pH = 7.4): 1.6290275
• Log P: 2.1168675
• Molar Refractivity: 107.9482 cm^3
• Polarizability: 41.378002 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.57
• LOG S: -4.07
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 4