[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone

C19H16ClF3N4O — CID 110208453

IUPAC[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cn2cc(C(F)(F)F)cc(Cl)c2n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H16ClF3N4O/c20-15-10-13(19(21,22)23)11-27-12-16(24-17(15)27)18(28)26-8-6-25(7-9-26)14-4-2-1-3-5-14/h1-5,10-12H,6-9H2
InChIKeyYPHCAOUMHFBBDI-UHFFFAOYSA-N
MW408.81 g/mol
LogP3.97
Rot. Bonds2

About [8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone

[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 110208453) has the molecular formula C19H16ClF3N4O and a molecular weight of 408.81 g/mol. Its IUPAC name is [8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID110208453
Molecular FormulaC19H16ClF3N4O
Molecular Weight408.81 g/mol
Exact Mass408.10
IUPAC Name[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cn2cc(C(F)(F)F)cc(Cl)c2n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H16ClF3N4O/c20-15-10-13(19(21,22)23)11-27-12-16(24-17(15)27)18(28)26-8-6-25(7-9-26)14-4-2-1-3-5-14/h1-5,10-12H,6-9H2
InChIKeyYPHCAOUMHFBBDI-UHFFFAOYSA-N
XLogP3.97
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.81
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
CID 2725939
N-[3-(4-benzylpiperazin-1-yl)propyl]-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 2796284
imidazo[2,1-b][1,3]thiazol-6-yl-(4-phenylpiperazin-1-yl)methanone
CID 110853246
[4-(3-chlorophenyl)piperazin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 87051382
[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone
CID 42705379
(4-phenylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526728
[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 9366623
(5-tert-butyl-1H-pyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853153
[3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1113825
(5-methylpyrazin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42965297
(4-phenylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273506
N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
CID 90515030

Frequently Asked Questions

What is the IUPAC name of [8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone (CID 110208453) is [8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1cn2cc(C(F)(F)F)cc(Cl)c2n1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is YPHCAOUMHFBBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N4O/c20-15-10-13(19(21,22)23)11-27-12-16(24-17(15)27)18(28)26-8-6-25(7-9-26)14-4-2-1-3-5-14/h1-5,10-12H,6-9H2.
What are the key properties of [8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 408.81 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 110208453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).