N-cyclopropyl-5-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 509801
• Molecular Formular: C22H25N5O2
• Molecular Mass: 391.4662
• Monoisotopic Mass: 391.20082507
• SMILES: c1(nn2c(c1)CN(Cc1c(=O)[nH]c3c(c1)cc(cc3C)C)CC2)C(=O)NC1CC1
• Canonical SMILES: Cc1cc(C)c2c(c1)cc(c(=O)[nH]2)CN1CCn2c(C1)cc(n2)C(=O)NC1CC1
• InChI: InChI=1S/C22H25N5O2/c1-13-7-14(2)20-15(8-13)9-16(21(28)24-20)11-26-5-6-27-18(12-26)10-19(25-27)22(29)23-17-3-4-17/h7-10,17H,3-6,11-12H2,1-2H3,(H,23,29)(H,24,28)
• InChIKey: ZYRGVHRPHUFEHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-cyclopropyl-5-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.790005
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9162138
• LogD (pH = 7.4): 2.267109
• Log P: 2.2740517
• Molar Refractivity: 125.459 cm^3
• Polarizability: 41.8083 Å^3
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.32
• LOG S: -3.18
• Polar Surface Area: 83.02 Å^2
• Rotatable Bonds: 4