1-[5-chloro-2-ethoxy-4-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-3-ethylimidazo[1,5-a]pyridine

C23H18ClF4N3O — CID 158340179

IUPAC1-[5-chloro-2-ethoxy-4-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-3-ethylimidazo[1,5-a]pyridine
SMILESCCOc1c(-c2nc(CC)n3ccccc23)cc(Cl)c(F)c1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H18ClF4N3O/c1-3-18-30-21(16-7-5-6-10-31(16)18)14-11-15(24)20(25)19(22(14)32-4-2)13-8-9-17(29-12-13)23(26,27)28/h5-12H,3-4H2,1-2H3
InChIKeyGRBICFAEVCJHOS-UHFFFAOYSA-N
MW463.86 g/mol
LogP6.84
Rot. Bonds5

About 1-[5-chloro-2-ethoxy-4-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-3-ethylimidazo[1,5-a]pyridine

1-[5-chloro-2-ethoxy-4-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-3-ethylimidazo[1,5-a]pyridine (PubChem CID 158340179) has the molecular formula C23H18ClF4N3O and a molecular weight of 463.86 g/mol. Its IUPAC name is 1-[5-chloro-2-ethoxy-4-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-3-ethylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-[5-chloro-2-ethoxy-4-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-3-ethylimidazo[1,5-a]pyridine
PubChem CID158340179
Molecular FormulaC23H18ClF4N3O
Molecular Weight463.86 g/mol
Exact Mass463.11
IUPAC Name1-[5-chloro-2-ethoxy-4-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-3-ethylimidazo[1,5-a]pyridine
SMILESCCOc1c(-c2nc(CC)n3ccccc23)cc(Cl)c(F)c1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H18ClF4N3O/c1-3-18-30-21(16-7-5-6-10-31(16)18)14-11-15(24)20(25)19(22(14)32-4-2)13-8-9-17(29-12-13)23(26,27)28/h5-12H,3-4H2,1-2H3
InChIKeyGRBICFAEVCJHOS-UHFFFAOYSA-N
XLogP6.84
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.86
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-3-[(1S)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 164984864
2-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propanoic acid
CID 134600909
8-chloro-3-[3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-2-pyridinyl]imidazo[1,5-a]pyridine
CID 151571953
1-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[2-ethoxy-5-fluoro-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[5-fluoro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[2-ethoxy-5-fluoro-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine
CID 165006331
1-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 158479533
5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134637957
3-ethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]pyridin-2-amine
CID 175748083
1-bromo-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(5-methyl-3-pyridinyl)phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-bromo-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 158479531
2-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]isoindole-1,3-dione;ethane
CID 144826339
tert-butyl N-[2-[1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]ethyl]carbamate
CID 11742008
2-[6-(trifluoromethyl)-3-pyridinyl]phenol
CID 142726481
(2S)-2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)-7-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol
CID 169148128

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-ethoxy-4-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-3-ethylimidazo[1,5-a]pyridine?
The IUPAC name of 1-[5-chloro-2-ethoxy-4-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-3-ethylimidazo[1,5-a]pyridine (CID 158340179) is 1-[5-chloro-2-ethoxy-4-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-3-ethylimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-[5-chloro-2-ethoxy-4-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-3-ethylimidazo[1,5-a]pyridine?
The canonical SMILES for 1-[5-chloro-2-ethoxy-4-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-3-ethylimidazo[1,5-a]pyridine is CCOc1c(-c2nc(CC)n3ccccc23)cc(Cl)c(F)c1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 1-[5-chloro-2-ethoxy-4-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-3-ethylimidazo[1,5-a]pyridine?
The InChIKey is GRBICFAEVCJHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF4N3O/c1-3-18-30-21(16-7-5-6-10-31(16)18)14-11-15(24)20(25)19(22(14)32-4-2)13-8-9-17(29-12-13)23(26,27)28/h5-12H,3-4H2,1-2H3.
What are the key properties of 1-[5-chloro-2-ethoxy-4-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-3-ethylimidazo[1,5-a]pyridine?
1-[5-chloro-2-ethoxy-4-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-3-ethylimidazo[1,5-a]pyridine has a molecular weight of 463.86 g/mol, XLogP of 6.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-ethoxy-4-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-3-ethylimidazo[1,5-a]pyridine is sourced from PubChem (CID 158340179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).