N-[(2R,4R,6S)-2-cyclohexyl-6-{pyrazolo[1,5-a]pyrimidin-3-yl}oxan-4-yl]acetamide

• ChemBase ID: 706114
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: c1(c2n(nc1)cccn2)[C@H]1O[C@H](C[C@H](C1)NC(=O)C)C1CCCCC1
• Canonical SMILES: CC(=O)N[C@@H]1C[C@@H](O[C@@H](C1)c1cnn2c1nccc2)C1CCCCC1
• InChI: InChI=1S/C19H26N4O2/c1-13(24)22-15-10-17(14-6-3-2-4-7-14)25-18(11-15)16-12-21-23-9-5-8-20-19(16)23/h5,8-9,12,14-15,17-18H,2-4,6-7,10-11H2,1H3,(H,22,24)/t15-,17-,18+/m1/s1
• InChIKey: LBEPCBLBHAFERN-NXHRZFHOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2R,4R,6S)-2-cyclohexyl-6-{pyrazolo[1,5-a]pyrimidin-3-yl}oxan-4-yl]acetamide
• IUPAC Traditional name: N-[(2R,4R,6S)-2-cyclohexyl-6-{pyrazolo[1,5-a]pyrimidin-3-yl}oxan-4-yl]acetamide
• Synonyms: N-[(2R*,4R*,6S*)-2-cyclohexyl-6-pyrazolo[1,5-a]pyrimidin-3-yltetrahydro-2H-pyran-4-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.385937
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7925768
• LogD (pH = 7.4): 1.792591
• Log P: 1.7925912
• Molar Refractivity: 105.2517 cm^3
• Polarizability: 36.774254 Å^3
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.49
• LOG S: -2.97
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 3