1'-(4-aminopyrimidin-2-yl)-1-methyl-1,2-dihydrospiro[indole-3,4'-piperidine]-2-one

• ChemBase ID: 522516
• Molecular Formular: C17H19N5O
• Molecular Mass: 309.36566
• Monoisotopic Mass: 309.15896025
• SMILES: C1(=O)C2(c3c(N1C)cccc3)CCN(c1nc(ccn1)N)CC2
• Canonical SMILES: Nc1ccnc(n1)N1CCC2(CC1)c1ccccc1N(C2=O)C
• InChI: InChI=1S/C17H19N5O/c1-21-13-5-3-2-4-12(13)17(15(21)23)7-10-22(11-8-17)16-19-9-6-14(18)20-16/h2-6,9H,7-8,10-11H2,1H3,(H2,18,19,20)
• InChIKey: ILECFNGNXCWVPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-(4-aminopyrimidin-2-yl)-1-methyl-1,2-dihydrospiro[indole-3,4'-piperidine]-2-one
• IUPAC Traditional name: 1'-(4-aminopyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one
• Synonyms: 1'-(4-aminopyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidin]-2(1H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.42574662
• LogD (pH = 7.4): 1.5017822
• Log P: 1.690148
• Molar Refractivity: 90.4239 cm^3
• Polarizability: 33.037605 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.9
• LOG S: -3.93
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 1