3-(2-fluoro-4-methylsulfonylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide

C20H19FN8O3S — CID 166484725

IUPAC3-(2-fluoro-4-methylsulfonylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
SMILESCNc1nc(Nc2ccc(S(C)(=O)=O)cc2F)c(C(N)=O)nc1-c1cncc2c1ncn2C
InChIInChI=1S/C20H19FN8O3S/c1-23-19-16(11-7-24-8-14-15(11)25-9-29(14)2)27-17(18(22)30)20(28-19)26-13-5-4-10(6-12(13)21)33(3,31)32/h4-9H,1-3H3,(H2,22,30)(H2,23,26,28)
InChIKeyAVYYLWISCLGXLS-UHFFFAOYSA-N
MW470.49 g/mol
LogP1.85
Rot. Bonds6

About 3-(2-fluoro-4-methylsulfonylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide

3-(2-fluoro-4-methylsulfonylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide (PubChem CID 166484725) has the molecular formula C20H19FN8O3S and a molecular weight of 470.49 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylsulfonylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-4-methylsulfonylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
PubChem CID166484725
Molecular FormulaC20H19FN8O3S
Molecular Weight470.49 g/mol
Exact Mass470.13
IUPAC Name3-(2-fluoro-4-methylsulfonylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
SMILESCNc1nc(Nc2ccc(S(C)(=O)=O)cc2F)c(C(N)=O)nc1-c1cncc2c1ncn2C
InChIInChI=1S/C20H19FN8O3S/c1-23-19-16(11-7-24-8-14-15(11)25-9-29(14)2)27-17(18(22)30)20(28-19)26-13-5-4-10(6-12(13)21)33(3,31)32/h4-9H,1-3H3,(H2,22,30)(H2,23,26,28)
InChIKeyAVYYLWISCLGXLS-UHFFFAOYSA-N
XLogP1.85
TPSA157.78 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylsulfonylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-(2-fluoro-4-methylsulfonylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide (CID 166484725) is 3-(2-fluoro-4-methylsulfonylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-(2-fluoro-4-methylsulfonylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-(2-fluoro-4-methylsulfonylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide is CNc1nc(Nc2ccc(S(C)(=O)=O)cc2F)c(C(N)=O)nc1-c1cncc2c1ncn2C.
What is the InChIKey of 3-(2-fluoro-4-methylsulfonylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
The InChIKey is AVYYLWISCLGXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN8O3S/c1-23-19-16(11-7-24-8-14-15(11)25-9-29(14)2)27-17(18(22)30)20(28-19)26-13-5-4-10(6-12(13)21)33(3,31)32/h4-9H,1-3H3,(H2,22,30)(H2,23,26,28).
What are the key properties of 3-(2-fluoro-4-methylsulfonylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
3-(2-fluoro-4-methylsulfonylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide has a molecular weight of 470.49 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylsulfonylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 166484725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).