1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one

C25H20ClF3N2O — CID 161228612

IUPAC1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
SMILESCCc1nc2cc(Cl)ccn2c1C(=O)CCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C25H20ClF3N2O/c1-2-21-24(31-14-13-20(26)15-23(31)30-21)22(32)12-5-16-3-6-17(7-4-16)18-8-10-19(11-9-18)25(27,28)29/h3-4,6-11,13-15H,2,5,12H2,1H3
InChIKeyUYLLHXCCHBUETC-UHFFFAOYSA-N
MW456.90 g/mol
LogP7.05
Rot. Bonds6

About 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one

1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one (PubChem CID 161228612) has the molecular formula C25H20ClF3N2O and a molecular weight of 456.90 g/mol. Its IUPAC name is 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
PubChem CID161228612
Molecular FormulaC25H20ClF3N2O
Molecular Weight456.90 g/mol
Exact Mass456.12
IUPAC Name1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
SMILESCCc1nc2cc(Cl)ccn2c1C(=O)CCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C25H20ClF3N2O/c1-2-21-24(31-14-13-20(26)15-23(31)30-21)22(32)12-5-16-3-6-17(7-4-16)18-8-10-19(11-9-18)25(27,28)29/h3-4,6-11,13-15H,2,5,12H2,1H3
InChIKeyUYLLHXCCHBUETC-UHFFFAOYSA-N
XLogP7.05
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.90
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-pyridin-4-ylphenyl)propan-1-one
CID 148563488
1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(5-methoxy-2-pyridinyl)phenyl]propan-1-one
CID 152815930
1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one
CID 147134595
1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(4-phenylphenyl)propan-1-one
CID 162083240
7-chloro-2-ethyl-N-[[2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 155525751
1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]propan-1-one
CID 146720171
2-ethyl-7-(4-phenylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53466676
2-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82529890
1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenyl]propan-1-one
CID 118944760
7-chloro-N-[[4-(4-chloropiperidin-1-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 90683102
1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(1,1-difluoroethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
CID 162068934
6-ethyl-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264341

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one?
The IUPAC name of 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one (CID 161228612) is 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one.
What is the SMILES notation for 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one?
The canonical SMILES for 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one is CCc1nc2cc(Cl)ccn2c1C(=O)CCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one?
The InChIKey is UYLLHXCCHBUETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF3N2O/c1-2-21-24(31-14-13-20(26)15-23(31)30-21)22(32)12-5-16-3-6-17(7-4-16)18-8-10-19(11-9-18)25(27,28)29/h3-4,6-11,13-15H,2,5,12H2,1H3.
What are the key properties of 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one?
1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one has a molecular weight of 456.90 g/mol, XLogP of 7.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one is sourced from PubChem (CID 161228612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).