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

• ChemBase ID: 682310
• Molecular Formular: C17H20N6O2
• Molecular Mass: 340.3797
• Monoisotopic Mass: 340.16477391
• SMILES: c1(nn2c(c1)CN(C(=O)C1(CC1)N)CC2)C(=O)NCc1ncccc1
• Canonical SMILES: O=C(C1(N)CC1)N1CCn2c(C1)cc(n2)C(=O)NCc1ccccn1
• InChI: InChI=1S/C17H20N6O2/c18-17(4-5-17)16(25)22-7-8-23-13(11-22)9-14(21-23)15(24)20-10-12-3-1-2-6-19-12/h1-3,6,9H,4-5,7-8,10-11,18H2,(H,20,24)
• InChIKey: MNDBYOSBNZNKKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.901249
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.4622762
• LogD (pH = 7.4): -1.784377
• Log P: -0.86410576
• Molar Refractivity: 101.8311 cm^3
• Polarizability: 34.71995 Å^3
• Polar Surface Area: 106.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -2.54
• LOG S: 0.47
• Polar Surface Area: 106.14 Å^2
• Rotatable Bonds: 4