3-methyl-7-{1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl}-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

• ChemBase ID: 726254
• Molecular Formular: C17H21N5O3
• Molecular Mass: 343.38034
• Monoisotopic Mass: 343.16443956
• SMILES: c12c(c(C(=O)N3CC4(OC(=O)N(C4)C)CC3)cc(n2)C)c(nn1C)C
• Canonical SMILES: Cc1cc(C(=O)N2CCC3(C2)CN(C(=O)O3)C)c2c(n1)n(C)nc2C
• InChI: InChI=1S/C17H21N5O3/c1-10-7-12(13-11(2)19-21(4)14(13)18-10)15(23)22-6-5-17(9-22)8-20(3)16(24)25-17/h7H,5-6,8-9H2,1-4H3
• InChIKey: HISLVLRCSBEOPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-7-{1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl}-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• IUPAC Traditional name: 3-methyl-7-{1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl}-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• Synonyms: 3-methyl-7-[(1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.30434588
• LogD (pH = 7.4): -0.30421984
• Log P: -0.30421823
• Molar Refractivity: 101.5407 cm^3
• Polarizability: 34.604633 Å^3
• Polar Surface Area: 80.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.55
• LOG S: -2.54
• Polar Surface Area: 80.56 Å^2
• Rotatable Bonds: 1