1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone

C21H14F3N3O — CID 90095601

IUPAC1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2ccc(-c3cccnc3-c3cccc(C(F)(F)F)c3)cn12
InChIInChI=1S/C21H14F3N3O/c1-13(28)18-11-26-19-8-7-15(12-27(18)19)17-6-3-9-25-20(17)14-4-2-5-16(10-14)21(22,23)24/h2-12H,1H3
InChIKeyBTJZSYCEACPWIN-UHFFFAOYSA-N
MW381.36 g/mol
LogP5.28
Rot. Bonds3

About 1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone

1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone (PubChem CID 90095601) has the molecular formula C21H14F3N3O and a molecular weight of 381.36 g/mol. Its IUPAC name is 1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone
PubChem CID90095601
Molecular FormulaC21H14F3N3O
Molecular Weight381.36 g/mol
Exact Mass381.11
IUPAC Name1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2ccc(-c3cccnc3-c3cccc(C(F)(F)F)c3)cn12
InChIInChI=1S/C21H14F3N3O/c1-13(28)18-11-26-19-8-7-15(12-27(18)19)17-6-3-9-25-20(17)14-4-2-5-16(10-14)21(22,23)24/h2-12H,1H3
InChIKeyBTJZSYCEACPWIN-UHFFFAOYSA-N
XLogP5.28
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.36
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[amino(hydroxy)methyl]phenyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 139495259
2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 53218025
N-(4-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90094803
6-[2-(3-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 90095249
6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylic acid
CID 122478569
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 90095047
6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-pyrrolidin-1-ylimidazo[1,2-a]pyridine;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methanol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyrrolidin-1-ylimidazo[1,2-a]pyridine;[6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methanol;6-[2-(3-methylphenyl)-3-pyridinyl]-3-pyrrolidin-1-ylimidazo[1,2-a]pyridine;3-pyrrolidin-1-yl-6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine
CID 160958942
methyl 3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634607
4-[[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methanol;4-[[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 159948651
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90094779
[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 90094224
[3-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134621668

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone?
The IUPAC name of 1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone (CID 90095601) is 1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone?
The canonical SMILES for 1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone is CC(=O)c1cnc2ccc(-c3cccnc3-c3cccc(C(F)(F)F)c3)cn12.
What is the InChIKey of 1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone?
The InChIKey is BTJZSYCEACPWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O/c1-13(28)18-11-26-19-8-7-15(12-27(18)19)17-6-3-9-25-20(17)14-4-2-5-16(10-14)21(22,23)24/h2-12H,1H3.
What are the key properties of 1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone?
1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone has a molecular weight of 381.36 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone is sourced from PubChem (CID 90095601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).