N-cyclopropyl-5-[2-(1H-indazol-3-yl)acetyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 850867
• Molecular Formular: C19H20N6O2
• Molecular Mass: 364.4011
• Monoisotopic Mass: 364.16477391
• SMILES: c1(nn2c(c1)CN(C(=O)Cc1n[nH]c3c1cccc3)CC2)C(=O)NC1CC1
• Canonical SMILES: O=C(N1CCn2c(C1)cc(n2)C(=O)NC1CC1)Cc1n[nH]c2c1cccc2
• InChI: InChI=1S/C19H20N6O2/c26-18(10-16-14-3-1-2-4-15(14)21-22-16)24-7-8-25-13(11-24)9-17(23-25)19(27)20-12-5-6-12/h1-4,9,12H,5-8,10-11H2,(H,20,27)(H,21,22)
• InChIKey: IWRHAXSELWDZBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.710758
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.78684765
• LogD (pH = 7.4): 0.7868356
• Log P: 0.7868564
• Molar Refractivity: 110.8631 cm^3
• Polarizability: 38.37058 Å^3
• Polar Surface Area: 95.91 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: 1.44
• LOG S: -3.08
• Polar Surface Area: 95.91 Å^2
• Rotatable Bonds: 4