5-(1-methylpyrrolidine-3-carbonyl)-N-(pyridin-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 674732
• Molecular Formular: C19H24N6O2
• Molecular Mass: 368.43286
• Monoisotopic Mass: 368.19607404
• SMILES: c1(nn2c(c1)CN(C(=O)C1CN(CC1)C)CC2)C(=O)NCc1ncccc1
• Canonical SMILES: CN1CCC(C1)C(=O)N1CCn2c(C1)cc(n2)C(=O)NCc1ccccn1
• InChI: InChI=1S/C19H24N6O2/c1-23-7-5-14(12-23)19(27)24-8-9-25-16(13-24)10-17(22-25)18(26)21-11-15-4-2-3-6-20-15/h2-4,6,10,14H,5,7-9,11-13H2,1H3,(H,21,26)
• InChIKey: NUMYUXYEMKOLMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-methylpyrrolidine-3-carbonyl)-N-(pyridin-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-(1-methylpyrrolidine-3-carbonyl)-N-(pyridin-2-ylmethyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-[(1-methylpyrrolidin-3-yl)carbonyl]-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.901258
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.7305496
• LogD (pH = 7.4): -2.205829
• Log P: -0.43572295
• Molar Refractivity: 112.1917 cm^3
• Polarizability: 38.38896 Å^3
• Polar Surface Area: 83.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.49
• LOG S: -0.62
• Polar Surface Area: 83.36 Å^2
• Rotatable Bonds: 4