1-[4-(5-fluoro-2-methylanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]ethanone

C17H16FN3O — CID 143151562

IUPAC1-[4-(5-fluoro-2-methylanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]ethanone
SMILESCC(=O)c1cnc(Nc2cc(F)ccc2C)c2ccn(C)c12
InChIInChI=1S/C17H16FN3O/c1-10-4-5-12(18)8-15(10)20-17-13-6-7-21(3)16(13)14(9-19-17)11(2)22/h4-9H,1-3H3,(H,19,20)
InChIKeyUIHCNALYRKRWEM-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.97
Rot. Bonds3

About 1-[4-(5-fluoro-2-methylanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]ethanone

1-[4-(5-fluoro-2-methylanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]ethanone (PubChem CID 143151562) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 1-[4-(5-fluoro-2-methylanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-fluoro-2-methylanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]ethanone
PubChem CID143151562
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name1-[4-(5-fluoro-2-methylanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]ethanone
SMILESCC(=O)c1cnc(Nc2cc(F)ccc2C)c2ccn(C)c12
InChIInChI=1S/C17H16FN3O/c1-10-4-5-12(18)8-15(10)20-17-13-6-7-21(3)16(13)14(9-19-17)11(2)22/h4-9H,1-3H3,(H,19,20)
InChIKeyUIHCNALYRKRWEM-UHFFFAOYSA-N
XLogP3.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-2-methylanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]ethanone?
The IUPAC name of 1-[4-(5-fluoro-2-methylanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]ethanone (CID 143151562) is 1-[4-(5-fluoro-2-methylanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]ethanone.
What is the SMILES notation for 1-[4-(5-fluoro-2-methylanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]ethanone?
The canonical SMILES for 1-[4-(5-fluoro-2-methylanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]ethanone is CC(=O)c1cnc(Nc2cc(F)ccc2C)c2ccn(C)c12.
What is the InChIKey of 1-[4-(5-fluoro-2-methylanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]ethanone?
The InChIKey is UIHCNALYRKRWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-10-4-5-12(18)8-15(10)20-17-13-6-7-21(3)16(13)14(9-19-17)11(2)22/h4-9H,1-3H3,(H,19,20).
What are the key properties of 1-[4-(5-fluoro-2-methylanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]ethanone?
1-[4-(5-fluoro-2-methylanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]ethanone has a molecular weight of 297.33 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-2-methylanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]ethanone is sourced from PubChem (CID 143151562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).