2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C24H19FN8O2S — CID 166941603

IUPAC2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1ccc(S(=O)(=O)n2cc(-c3nc(N)c4cc(-c5cnn(C)c5)cn4n3)c3cc(F)cnc32)cc1
InChIInChI=1S/C24H19FN8O2S/c1-14-3-5-18(6-4-14)36(34,35)33-13-20(19-8-17(25)10-27-24(19)33)23-29-22(26)21-7-15(12-32(21)30-23)16-9-28-31(2)11-16/h3-13H,1-2H3,(H2,26,29,30)
InChIKeyJWAFXRJDQJEARU-UHFFFAOYSA-N
MW502.54 g/mol
LogP3.41
Rot. Bonds4

About 2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 166941603) has the molecular formula C24H19FN8O2S and a molecular weight of 502.54 g/mol. Its IUPAC name is 2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID166941603
Molecular FormulaC24H19FN8O2S
Molecular Weight502.54 g/mol
Exact Mass502.13
IUPAC Name2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1ccc(S(=O)(=O)n2cc(-c3nc(N)c4cc(-c5cnn(C)c5)cn4n3)c3cc(F)cnc32)cc1
InChIInChI=1S/C24H19FN8O2S/c1-14-3-5-18(6-4-14)36(34,35)33-13-20(19-8-17(25)10-27-24(19)33)23-29-22(26)21-7-15(12-32(21)30-23)16-9-28-31(2)11-16/h3-13H,1-2H3,(H2,26,29,30)
InChIKeyJWAFXRJDQJEARU-UHFFFAOYSA-N
XLogP3.41
TPSA125.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.54
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 166941603) is 2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1ccc(S(=O)(=O)n2cc(-c3nc(N)c4cc(-c5cnn(C)c5)cn4n3)c3cc(F)cnc32)cc1.
What is the InChIKey of 2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is JWAFXRJDQJEARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN8O2S/c1-14-3-5-18(6-4-14)36(34,35)33-13-20(19-8-17(25)10-27-24(19)33)23-29-22(26)21-7-15(12-32(21)30-23)16-9-28-31(2)11-16/h3-13H,1-2H3,(H2,26,29,30).
What are the key properties of 2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 502.54 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 166941603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).