8-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 682396
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: N1(C(=O)CCC2(C1)CN(c1cc(ncn1)OC)CCC2)Cc1cnccc1
• Canonical SMILES: COc1ncnc(c1)N1CCCC2(C1)CCC(=O)N(C2)Cc1cccnc1
• InChI: InChI=1S/C20H25N5O2/c1-27-18-10-17(22-15-23-18)24-9-3-6-20(13-24)7-5-19(26)25(14-20)12-16-4-2-8-21-11-16/h2,4,8,10-11,15H,3,5-7,9,12-14H2,1H3
• InChIKey: WDWXNFXCUULCSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-(6-methoxy-4-pyrimidinyl)-2-(3-pyridinylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.5943608
• LogD (pH = 7.4): 1.7343134
• Log P: 1.7362746
• Molar Refractivity: 103.7049 cm^3
• Polarizability: 39.06528 Å^3
• Polar Surface Area: 71.45 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.35
• LOG S: -1.73
• Polar Surface Area: 71.45 Å^2
• Rotatable Bonds: 4