2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile

C21H16FN5O — CID 118094853

IUPAC2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile
SMILESCOc1ccc(Nc2cc(C#N)cc(-c3c(C)nc4ccc(F)cn34)n2)cc1
InChIInChI=1S/C21H16FN5O/c1-13-21(27-12-15(22)3-8-20(27)24-13)18-9-14(11-23)10-19(26-18)25-16-4-6-17(28-2)7-5-16/h3-10,12H,1-2H3,(H,25,26)
InChIKeyIGSCPYYDJHKEJR-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.47
Rot. Bonds4

About 2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile

2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile (PubChem CID 118094853) has the molecular formula C21H16FN5O and a molecular weight of 373.39 g/mol. Its IUPAC name is 2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile
PubChem CID118094853
Molecular FormulaC21H16FN5O
Molecular Weight373.39 g/mol
Exact Mass373.13
IUPAC Name2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile
SMILESCOc1ccc(Nc2cc(C#N)cc(-c3c(C)nc4ccc(F)cn34)n2)cc1
InChIInChI=1S/C21H16FN5O/c1-13-21(27-12-15(22)3-8-20(27)24-13)18-9-14(11-23)10-19(26-18)25-16-4-6-17(28-2)7-5-16/h3-10,12H,1-2H3,(H,25,26)
InChIKeyIGSCPYYDJHKEJR-UHFFFAOYSA-N
XLogP4.47
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Sch 28080
CID 108137
8-(4-((Dimethylamino)methyl)-2-methylphenyl)-5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)amino)imidazo[1,2-c]pyrimidine-2-carbonitrile
CID 155788096
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
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CID 9543517
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CID 694963
3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
2,4-Disubstituted Pyrimidine 2g
CID 5329420
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
Rwj-68354
CID 9819053
2-(4-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 9910722
9-cyclopentyl-N(8)-(2-fluorophenyl)-N(2)-(4-methoxyphenyl)-9H-purine-2,8-diamine
CID 11647397

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile?
The IUPAC name of 2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile (CID 118094853) is 2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile?
The canonical SMILES for 2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile is COc1ccc(Nc2cc(C#N)cc(-c3c(C)nc4ccc(F)cn34)n2)cc1.
What is the InChIKey of 2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile?
The InChIKey is IGSCPYYDJHKEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O/c1-13-21(27-12-15(22)3-8-20(27)24-13)18-9-14(11-23)10-19(26-18)25-16-4-6-17(28-2)7-5-16/h3-10,12H,1-2H3,(H,25,26).
What are the key properties of 2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile?
2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile has a molecular weight of 373.39 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methoxyanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 118094853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).