N,N-dimethyl-6-{1-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl}pyrazine-2-carboxamide

• ChemBase ID: 330943
• Molecular Formular: C15H15N5O
• Molecular Mass: 281.3125
• Monoisotopic Mass: 281.12766013
• SMILES: c12c(ccn1C)c(c1nc(C(=O)N(C)C)cnc1)ccn2
• Canonical SMILES: CN(C(=O)c1cncc(n1)c1ccnc2c1ccn2C)C
• InChI: InChI=1S/C15H15N5O/c1-19(2)15(21)13-9-16-8-12(18-13)10-4-6-17-14-11(10)5-7-20(14)3/h4-9H,1-3H3
• InChIKey: UPMSLYNKTKMVKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-6-{1-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl}pyrazine-2-carboxamide
• IUPAC Traditional name: N,N-dimethyl-6-{1-methylpyrrolo[2,3-b]pyridin-4-yl}pyrazine-2-carboxamide
• Synonyms: N,N-dimethyl-6-(1-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7255849
• LogD (pH = 7.4): 0.72702867
• Log P: 0.7270471
• Molar Refractivity: 78.7871 cm^3
• Polarizability: 31.430164 Å^3
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.08
• LOG S: -2.17
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 2