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

• ChemBase ID: 490584
• Molecular Formular: C19H24N6O2
• Molecular Mass: 368.43286
• Monoisotopic Mass: 368.19607404
• SMILES: c1(c2c(n[nH]1)CCC(C2)C)C(=O)N1Cc2n(nc(c2)C(=O)NC2CC2)CC1
• Canonical SMILES: CC1CCc2c(C1)c([nH]n2)C(=O)N1CCn2c(C1)cc(n2)C(=O)NC1CC1
• InChI: InChI=1S/C19H24N6O2/c1-11-2-5-15-14(8-11)17(22-21-15)19(27)24-6-7-25-13(10-24)9-16(23-25)18(26)20-12-3-4-12/h9,11-12H,2-8,10H2,1H3,(H,20,26)(H,21,22)
• InChIKey: BFVJCQHONQDNAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-(5-methyl-4,5,6,7-tetrahydro-2H-indazole-3-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-(5-methyl-4,5,6,7-tetrahydro-2H-indazole-3-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-cyclopropyl-5-[(5-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.230151
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.9350516
• LogD (pH = 7.4): 0.9350893
• Log P: 0.9351532
• Molar Refractivity: 112.3405 cm^3
• Polarizability: 37.1997 Å^3
• Polar Surface Area: 95.91 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: 1.14
• LOG S: -2.86
• Polar Surface Area: 95.91 Å^2
• Rotatable Bonds: 3