1-methyl-5-({5-methylpyrazolo[1,5-a]pyrimidin-7-yl}amino)piperidin-2-one

• ChemBase ID: 572870
• Molecular Formular: C13H17N5O
• Molecular Mass: 259.30698
• Monoisotopic Mass: 259.14331019
• SMILES: n12c(cc(nc1ccn2)C)NC1CN(C(=O)CC1)C
• Canonical SMILES: O=C1CCC(CN1C)Nc1cc(C)nc2n1ncc2
• InChI: InChI=1S/C13H17N5O/c1-9-7-12(18-11(15-9)5-6-14-18)16-10-3-4-13(19)17(2)8-10/h5-7,10,16H,3-4,8H2,1-2H3
• InChIKey: FMRDLSRVMLNXMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-5-({5-methylpyrazolo[1,5-a]pyrimidin-7-yl}amino)piperidin-2-one
• IUPAC Traditional name: 1-methyl-5-({5-methylpyrazolo[1,5-a]pyrimidin-7-yl}amino)piperidin-2-one
• Synonyms: 1-methyl-5-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-piperidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.12132908
• LogD (pH = 7.4): -0.121279806
• Log P: -0.12127918
• Molar Refractivity: 82.668 cm^3
• Polarizability: 26.837973 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.46
• LOG S: -1.49
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 2