diethyl({3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl}methyl)amine

• ChemBase ID: 494481
• Molecular Formular: C19H25N7O2
• Molecular Mass: 383.4475
• Monoisotopic Mass: 383.20697308
• SMILES: c1(c2n(nc1)cc(cn2)CN(CC)CC)C(=O)N1C(c2nc(no2)C)CCC1
• Canonical SMILES: CCN(Cc1cnc2n(c1)ncc2C(=O)N1CCCC1c1onc(n1)C)CC
• InChI: InChI=1S/C19H25N7O2/c1-4-24(5-2)11-14-9-20-17-15(10-21-26(17)12-14)19(27)25-8-6-7-16(25)18-22-13(3)23-28-18/h9-10,12,16H,4-8,11H2,1-3H3
• InChIKey: HVSYLTGYUUNQJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl({3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl}methyl)amine
• IUPAC Traditional name: diethyl({3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl}methyl)amine
• Synonyms: N-ethyl-N-[(3-{[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]carbonyl}pyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.4509399
• LogD (pH = 7.4): 0.33501822
• Log P: 1.3995807
• Molar Refractivity: 117.1517 cm^3
• Polarizability: 39.11578 Å^3
• Polar Surface Area: 92.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -1.85
• LOG S: -1.73
• Polar Surface Area: 92.66 Å^2
• Rotatable Bonds: 6