5-(4-methoxyphenyl)-N-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}furan-2-carboxamide

• ChemBase ID: 375706
• Molecular Formular: C19H20N4O3
• Molecular Mass: 352.3871
• Monoisotopic Mass: 352.15354052
• SMILES: n12nc(cc1CNCC2)CNC(=O)c1oc(cc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1ccc(o1)C(=O)NCc1nn2c(c1)CNCC2
• InChI: InChI=1S/C19H20N4O3/c1-25-16-4-2-13(3-5-16)17-6-7-18(26-17)19(24)21-11-14-10-15-12-20-8-9-23(15)22-14/h2-7,10,20H,8-9,11-12H2,1H3,(H,21,24)
• InChIKey: RRWWTSYCDUNVQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-methoxyphenyl)-N-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}furan-2-carboxamide
• IUPAC Traditional name: 5-(4-methoxyphenyl)-N-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}furan-2-carboxamide
• Synonyms: 5-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.3833275
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.036929
• LogD (pH = 7.4): 0.631394
• Log P: 1.0579941
• Molar Refractivity: 108.0512 cm^3
• Polarizability: 37.978943 Å^3
• Polar Surface Area: 81.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.02
• LOG S: -2.64
• Polar Surface Area: 81.32 Å^2
• Rotatable Bonds: 5