N-cyclopropyl-5-(2-oxo-1,2,3,4-tetrahydroquinoline-4-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 845798
• Molecular Formular: C20H21N5O3
• Molecular Mass: 379.41244
• Monoisotopic Mass: 379.16443956
• SMILES: c1(nn2c(c1)CN(C(=O)C1c3c(NC(=O)C1)cccc3)CC2)C(=O)NC1CC1
• Canonical SMILES: O=C1Nc2ccccc2C(C1)C(=O)N1CCn2c(C1)cc(n2)C(=O)NC1CC1
• InChI: InChI=1S/C20H21N5O3/c26-18-10-15(14-3-1-2-4-16(14)22-18)20(28)24-7-8-25-13(11-24)9-17(23-25)19(27)21-12-5-6-12/h1-4,9,12,15H,5-8,10-11H2,(H,21,27)(H,22,26)
• InChIKey: YSBGPBREAVCAKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-(2-oxo-1,2,3,4-tetrahydroquinoline-4-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-cyclopropyl-5-[(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.58028
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.2063125
• LogD (pH = 7.4): 0.20631318
• Log P: 0.20631346
• Molar Refractivity: 114.2802 cm^3
• Polarizability: 38.258793 Å^3
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.03
• LOG S: -2.85
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 3