methyl 5-[2-methyl-2-(morpholin-4-ylmethyl)propyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

• ChemBase ID: 863015
• Molecular Formular: C17H28N4O3
• Molecular Mass: 336.42922
• Monoisotopic Mass: 336.21614078
• SMILES: c1(nn2c(c1)CN(CC(CN1CCOCC1)(C)C)CC2)C(=O)OC
• Canonical SMILES: COC(=O)c1nn2c(c1)CN(CC2)CC(CN1CCOCC1)(C)C
• InChI: InChI=1S/C17H28N4O3/c1-17(2,12-19-6-8-24-9-7-19)13-20-4-5-21-14(11-20)10-15(18-21)16(22)23-3/h10H,4-9,11-13H2,1-3H3
• InChIKey: MYWQMVJEQXPOEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5-[2-methyl-2-(morpholin-4-ylmethyl)propyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• IUPAC Traditional name: methyl 5-[2-methyl-2-(morpholin-4-ylmethyl)propyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• Synonyms: methyl 5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.2436929
• LogD (pH = 7.4): 0.6025174
• Log P: 1.1120851
• Molar Refractivity: 103.7842 cm^3
• Polarizability: 35.893 Å^3
• Polar Surface Area: 59.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.86
• LOG S: -2.23
• Polar Surface Area: 59.83 Å^2
• Rotatable Bonds: 6