5-(3-cyano-6-methylpyridin-2-yl)-N-[2-(dimethylamino)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 522034
• Molecular Formular: C18H23N7O
• Molecular Mass: 353.42152
• Monoisotopic Mass: 353.19640839
• SMILES: c1(nn2c(c1)CN(c1c(C#N)ccc(n1)C)CC2)C(=O)NCCN(C)C
• Canonical SMILES: N#Cc1ccc(nc1N1CCn2c(C1)cc(n2)C(=O)NCCN(C)C)C
• InChI: InChI=1S/C18H23N7O/c1-13-4-5-14(11-19)17(21-13)24-8-9-25-15(12-24)10-16(22-25)18(26)20-6-7-23(2)3/h4-5,10H,6-9,12H2,1-3H3,(H,20,26)
• InChIKey: BRZSFHZTHLGKFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3-cyano-6-methylpyridin-2-yl)-N-[2-(dimethylamino)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-(3-cyano-6-methylpyridin-2-yl)-N-[2-(dimethylamino)ethyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-(3-cyano-6-methylpyridin-2-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.044563
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -2.0666778
• LogD (pH = 7.4): -0.31405717
• Log P: 0.8251617
• Molar Refractivity: 112.003 cm^3
• Polarizability: 37.038067 Å^3
• Polar Surface Area: 90.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.1
• LOG S: -2.98
• Polar Surface Area: 90.08 Å^2
• Rotatable Bonds: 5