4-[2-(4-{7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl}piperazin-1-yl)ethyl]morpholine

• ChemBase ID: 843299
• Molecular Formular: C18H26N6O2
• Molecular Mass: 358.43804
• Monoisotopic Mass: 358.2117241
• SMILES: c1(c(n2c(nc1)ccn2)C)C(=O)N1CCN(CC1)CCN1CCOCC1
• Canonical SMILES: O=C(c1cnc2n(c1C)ncc2)N1CCN(CC1)CCN1CCOCC1
• InChI: InChI=1S/C18H26N6O2/c1-15-16(14-19-17-2-3-20-24(15)17)18(25)23-8-6-21(7-9-23)4-5-22-10-12-26-13-11-22/h2-3,14H,4-13H2,1H3
• InChIKey: WESZFTDMUCNDAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(4-{7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl}piperazin-1-yl)ethyl]morpholine
• IUPAC Traditional name: 4-[2-(4-{7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl}piperazin-1-yl)ethyl]morpholine
• Synonyms: 7-methyl-6-{[4-(2-morpholin-4-ylethyl)piperazin-1-yl]carbonyl}pyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -2.0905905
• LogD (pH = 7.4): -0.49758223
• Log P: -0.20220998
• Molar Refractivity: 110.9388 cm^3
• Polarizability: 37.71452 Å^3
• Polar Surface Area: 66.21 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: -0.65
• LOG S: -2.57
• Polar Surface Area: 66.21 Å^2
• Rotatable Bonds: 4