2-[2-(cyclopropylcarbamoyl)ethyl]-N-(3-fluorophenyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide

• ChemBase ID: 663614
• Molecular Formular: C19H22FN5O2
• Molecular Mass: 371.4086832
• Monoisotopic Mass: 371.17575319
• SMILES: c12n(nc(c1)CCC(=O)NC1CC1)CCN(C(=O)Nc1cc(F)ccc1)C2
• Canonical SMILES: O=C(NC1CC1)CCc1nn2c(c1)CN(CC2)C(=O)Nc1cccc(c1)F
• InChI: InChI=1S/C19H22FN5O2/c20-13-2-1-3-15(10-13)22-19(27)24-8-9-25-17(12-24)11-16(23-25)6-7-18(26)21-14-4-5-14/h1-3,10-11,14H,4-9,12H2,(H,21,26)(H,22,27)
• InChIKey: IIIPNFJPOMRWTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(cyclopropylcarbamoyl)ethyl]-N-(3-fluorophenyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• IUPAC Traditional name: 2-[2-(cyclopropylcarbamoyl)ethyl]-N-(3-fluorophenyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• Synonyms: 2-[3-(cyclopropylamino)-3-oxopropyl]-N-(3-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.829642
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2067571
• LogD (pH = 7.4): 1.2068028
• Log P: 1.206805
• Molar Refractivity: 110.4469 cm^3
• Polarizability: 36.953888 Å^3
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.06
• LOG S: -3.27
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 5