2-[7-ethoxy-2-[fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(S)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

C88H84F16N12O12 — CID 165040852

IUPAC2-[7-ethoxy-2-[fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(S)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCCOc1cc2nc(C(F)[C@H]3CCOC3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc([C@@H](F)[C@@H]3CCOC3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc([C@H](F)[C@@H]3CCOC3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc([C@H](F)[C@H]3CCOC3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/4C22H21F4N3O3/c4*1-2-32-18-9-20-28-16(21(23)13-6-7-31-12-13)11-29(20)10-14(18)8-17(30)15-4-3-5-19(27-15)22(24,25)26/h4*3-5,9-11,13,21H,2,6-8,12H2,1H3/t13-,21?;2*13-,21+;13-,21-/m0101/s1
InChIKeyOCIVANRAXGIJEJ-GEVVARHVSA-N
MW1805.68 g/mol
LogP18.48
Rot. Bonds28

About 2-[7-ethoxy-2-[fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(S)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

2-[7-ethoxy-2-[fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(S)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 165040852) has the molecular formula C88H84F16N12O12 and a molecular weight of 1805.68 g/mol. Its IUPAC name is 2-[7-ethoxy-2-[fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(S)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[7-ethoxy-2-[fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(S)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID165040852
Molecular FormulaC88H84F16N12O12
Molecular Weight1805.68 g/mol
Exact Mass1804.61
IUPAC Name2-[7-ethoxy-2-[fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(S)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCCOc1cc2nc(C(F)[C@H]3CCOC3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc([C@@H](F)[C@@H]3CCOC3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc([C@H](F)[C@@H]3CCOC3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc([C@H](F)[C@H]3CCOC3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/4C22H21F4N3O3/c4*1-2-32-18-9-20-28-16(21(23)13-6-7-31-12-13)11-29(20)10-14(18)8-17(30)15-4-3-5-19(27-15)22(24,25)26/h4*3-5,9-11,13,21H,2,6-8,12H2,1H3/t13-,21?;2*13-,21+;13-,21-/m0101/s1
InChIKeyOCIVANRAXGIJEJ-GEVVARHVSA-N
XLogP18.48
TPSA262.88 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001805.68
LogP ≤ 518.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-[7-ethoxy-2-[fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(S)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[7-ethoxy-2-[fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(S)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-[7-ethoxy-2-[fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(S)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (CID 165040852) is 2-[7-ethoxy-2-[fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(S)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[7-ethoxy-2-[fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(S)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-[7-ethoxy-2-[fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(S)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is CCOc1cc2nc(C(F)[C@H]3CCOC3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc([C@@H](F)[C@@H]3CCOC3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc([C@H](F)[C@@H]3CCOC3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc([C@H](F)[C@H]3CCOC3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[7-ethoxy-2-[fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(S)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is OCIVANRAXGIJEJ-GEVVARHVSA-N. The full InChI is InChI=1S/4C22H21F4N3O3/c4*1-2-32-18-9-20-28-16(21(23)13-6-7-31-12-13)11-29(20)10-14(18)8-17(30)15-4-3-5-19(27-15)22(24,25)26/h4*3-5,9-11,13,21H,2,6-8,12H2,1H3/t13-,21?;2*13-,21+;13-,21-/m0101/s1.
What are the key properties of 2-[7-ethoxy-2-[fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(S)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
2-[7-ethoxy-2-[fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(S)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 1805.68 g/mol, XLogP of 18.48, 28 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-ethoxy-2-[fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(S)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 165040852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).