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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Related Compounds

[4-(5-fluoro-2-methoxyanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride
CID 68867316
[4-(5-bromo-2-methylanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride
CID 68867314
[4-(5-methoxy-2-methylanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride
CID 68868590
N-(5-fluoro-2-methoxyphenyl)-1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-amine
CID 89229930
[4-(3-chloro-2-fluoroanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride
CID 68867452
1-[2-amino-5-(5-fluoro-2-methylanilino)phenyl]ethanone
CID 104612298
5-bromo-4-N-(5-fluoro-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80761631
6-chloro-2-(5-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 63537975
2-[(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-fluorobenzamide
CID 59441653
[4-[5-[difluoro(iodo)methyl]-2-methoxyanilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone
CID 162551168
3-N-(5-fluoro-2-methylphenyl)pyrazine-2,3-diamine
CID 102985191
5-bromo-2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762209

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).