[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C22H23F3N4O — CID 112770860

IUPAC[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1ccn2c(CN3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)c(C)nc2c1
InChIInChI=1S/C22H23F3N4O/c1-15-7-8-29-19(16(2)26-20(29)13-15)14-27-9-11-28(12-10-27)21(30)17-3-5-18(6-4-17)22(23,24)25/h3-8,13H,9-12,14H2,1-2H3
InChIKeyGJDWJMAWIWFJTH-UHFFFAOYSA-N
MW416.45 g/mol
LogP3.93
Rot. Bonds3

About [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 112770860) has the molecular formula C22H23F3N4O and a molecular weight of 416.45 g/mol. Its IUPAC name is [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID112770860
Molecular FormulaC22H23F3N4O
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC Name[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1ccn2c(CN3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)c(C)nc2c1
InChIInChI=1S/C22H23F3N4O/c1-15-7-8-29-19(16(2)26-20(29)13-15)14-27-9-11-28(12-10-27)21(30)17-3-5-18(6-4-17)22(23,24)25/h3-8,13H,9-12,14H2,1-2H3
InChIKeyGJDWJMAWIWFJTH-UHFFFAOYSA-N
XLogP3.93
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 112770934
(5-bromo-2-fluorophenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
CID 112770952
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 112770907
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 112816808
(5-bromofuran-2-yl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
CID 112770870
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-2-pyrrolidin-1-ylphenyl)methanone
CID 75421319
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone
CID 112822053
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55361222
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 112771925
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 112808205
(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
CID 112802586
2-(4-bromophenyl)-1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]ethanone
CID 112770886

Frequently Asked Questions

What is the IUPAC name of [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 112770860) is [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is Cc1ccn2c(CN3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)c(C)nc2c1.
What is the InChIKey of [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is GJDWJMAWIWFJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O/c1-15-7-8-29-19(16(2)26-20(29)13-15)14-27-9-11-28(12-10-27)21(30)17-3-5-18(6-4-17)22(23,24)25/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 416.45 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 112770860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).