1'-[6-(morpholin-4-yl)pyrimidin-4-yl]-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one

• ChemBase ID: 630205
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: C12(C(=O)Nc3c1cccc3)CN(c1cc(N3CCOCC3)ncn1)CCC2
• Canonical SMILES: O=C1Nc2c(C31CCCN(C3)c1ncnc(c1)N1CCOCC1)cccc2
• InChI: InChI=1S/C20H23N5O2/c26-19-20(15-4-1-2-5-16(15)23-19)6-3-7-25(13-20)18-12-17(21-14-22-18)24-8-10-27-11-9-24/h1-2,4-5,12,14H,3,6-11,13H2,(H,23,26)
• InChIKey: LQFDJFJTPNAEAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-[6-(morpholin-4-yl)pyrimidin-4-yl]-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one
• IUPAC Traditional name: 1'-[6-(morpholin-4-yl)pyrimidin-4-yl]-1H-spiro[indole-3,3'-piperidine]-2-one
• Synonyms: 1'-(6-morpholin-4-ylpyrimidin-4-yl)spiro[indole-3,3'-piperidin]-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.179168
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.3345194
• LogD (pH = 7.4): 2.5085664
• Log P: 2.6161304
• Molar Refractivity: 106.3242 cm^3
• Polarizability: 38.531616 Å^3
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.66
• LOG S: -3.28
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 2