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

• ChemBase ID: 822893
• Molecular Formular: C17H19N5O
• Molecular Mass: 309.36566
• Monoisotopic Mass: 309.15896025
• SMILES: C12(C(=O)N(c3c1cccc3)C)CN(c1nc(ccn1)N)CCC2
• Canonical SMILES: Nc1ccnc(n1)N1CCCC2(C1)c1ccccc1N(C2=O)C
• InChI: InChI=1S/C17H19N5O/c1-21-13-6-3-2-5-12(13)17(15(21)23)8-4-10-22(11-17)16-19-9-7-14(18)20-16/h2-3,5-7,9H,4,8,10-11H2,1H3,(H2,18,19,20)
• InChIKey: BGGCPCZMAUJBQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.58666897
• LogD (pH = 7.4): 1.662236
• Log P: 1.8460554
• Molar Refractivity: 90.2699 cm^3
• Polarizability: 33.03741 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: 2.96
• LOG S: -3.98
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 1