N-cyclopropyl-3-{5-[(3-methoxyphenyl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide

• ChemBase ID: 779164
• Molecular Formular: C20H26N4O2
• Molecular Mass: 354.44604
• Monoisotopic Mass: 354.20557609
• SMILES: n12c(cc(n1)CCC(=O)NC1CC1)CN(Cc1cc(OC)ccc1)CC2
• Canonical SMILES: COc1cccc(c1)CN1CCn2c(C1)cc(n2)CCC(=O)NC1CC1
• InChI: InChI=1S/C20H26N4O2/c1-26-19-4-2-3-15(11-19)13-23-9-10-24-18(14-23)12-17(22-24)7-8-20(25)21-16-5-6-16/h2-4,11-12,16H,5-10,13-14H2,1H3,(H,21,25)
• InChIKey: DJYQKPCNBMFIET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-{5-[(3-methoxyphenyl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide
• IUPAC Traditional name: N-cyclopropyl-3-{5-[(3-methoxyphenyl)methyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide
• Synonyms: N-cyclopropyl-3-[5-(3-methoxybenzyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.403781
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.030899083
• LogD (pH = 7.4): 1.3454144
• Log P: 1.4963115
• Molar Refractivity: 111.9033 cm^3
• Polarizability: 38.85293 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.34
• LOG S: -3.38
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 7