methyl 5-{2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

• ChemBase ID: 714538
• Molecular Formular: C17H26N4O4
• Molecular Mass: 350.41274
• Monoisotopic Mass: 350.19540533
• SMILES: c1(nn2c(c1)CN(C(=O)C(N1C[C@@H](O[C@@H](C1)C)C)C)CC2)C(=O)OC
• Canonical SMILES: COC(=O)c1nn2c(c1)CN(CC2)C(=O)C(N1C[C@H](C)O[C@@H](C1)C)C
• InChI: InChI=1S/C17H26N4O4/c1-11-8-20(9-12(2)25-11)13(3)16(22)19-5-6-21-14(10-19)7-15(18-21)17(23)24-4/h7,11-13H,5-6,8-10H2,1-4H3/t11-,12+,13?
• InChIKey: XTLGNCDOIUZZCR-FUNVUKJBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5-{2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• IUPAC Traditional name: methyl 5-{2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoyl}-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• Synonyms: methyl 5-{2-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]propanoyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.38229984
• LogD (pH = 7.4): 0.539276
• Log P: 0.5821128
• Molar Refractivity: 103.1721 cm^3
• Polarizability: 35.701424 Å^3
• Polar Surface Area: 76.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.41
• LOG S: -2.96
• Polar Surface Area: 76.9 Å^2
• Rotatable Bonds: 4