1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one

C30H28ClF4N3O2 — CID 161409293

IUPAC1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1
InChIInChI=1S/C30H28ClF4N3O2/c1-2-25-29(38-18-22(31)7-12-28(38)36-25)27(39)11-4-19-3-10-26(24(32)17-19)37-15-13-21(14-16-37)20-5-8-23(9-6-20)40-30(33,34)35/h3,5-10,12,17-18,21H,2,4,11,13-16H2,1H3
InChIKeyPCGBTKQNJZWGTM-UHFFFAOYSA-N
MW574.02 g/mol
LogP7.79
Rot. Bonds8

About 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one

1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one (PubChem CID 161409293) has the molecular formula C30H28ClF4N3O2 and a molecular weight of 574.02 g/mol. Its IUPAC name is 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
PubChem CID161409293
Molecular FormulaC30H28ClF4N3O2
Molecular Weight574.02 g/mol
Exact Mass573.18
IUPAC Name1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1
InChIInChI=1S/C30H28ClF4N3O2/c1-2-25-29(38-18-22(31)7-12-28(38)36-25)27(39)11-4-19-3-10-26(24(32)17-19)37-15-13-21(14-16-37)20-5-8-23(9-6-20)40-30(33,34)35/h3,5-10,12,17-18,21H,2,4,11,13-16H2,1H3
InChIKeyPCGBTKQNJZWGTM-UHFFFAOYSA-N
XLogP7.79
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.02
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one with MolForge

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Related Compounds

Telacebec
CID 68234908
6-chloro-N-[[4-[4-(4-chlorophenoxy)-1-piperidyl]phenyl]methyl]-2-ethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 67401709
7-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234668
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235029
Aminoimidazo[1,2-a]pyridine deriv. 16
CID 5330616
Aminoimidazo[1,2-a]pyridine deriv. 20
CID 5330621
Aminoimidazo[1,2-a]pyridine deriv. 22
CID 5330640
Aminoimidazo[1,2-a]pyridine deriv. 23
CID 5330641
6-chloro-2-ethyl-N-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53466897
7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53467345
6-chloro-2-ethyl-N-[[4-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67403725
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenoxy]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234748

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?
The IUPAC name of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one (CID 161409293) is 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?
The canonical SMILES for 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one is CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1.
What is the InChIKey of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?
The InChIKey is PCGBTKQNJZWGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClF4N3O2/c1-2-25-29(38-18-22(31)7-12-28(38)36-25)27(39)11-4-19-3-10-26(24(32)17-19)37-15-13-21(14-16-37)20-5-8-23(9-6-20)40-30(33,34)35/h3,5-10,12,17-18,21H,2,4,11,13-16H2,1H3.
What are the key properties of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?
1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one has a molecular weight of 574.02 g/mol, XLogP of 7.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 161409293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).