2,2,2-trifluoro-1-(1-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-ylindolizin-3-yl)ethanone

C21H17F3N4O2 — CID 127039446

IUPAC2,2,2-trifluoro-1-(1-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-ylindolizin-3-yl)ethanone
SMILESO=C(c1cc(-c2cccc3nccn23)c2cc(N3CCOCC3)ccn12)C(F)(F)F
InChIInChI=1S/C21H17F3N4O2/c22-21(23,24)20(29)18-13-15(16-2-1-3-19-25-5-7-28(16)19)17-12-14(4-6-27(17)18)26-8-10-30-11-9-26/h1-7,12-13H,8-11H2
InChIKeyHWZHRYCKINBOJL-UHFFFAOYSA-N
MW414.39 g/mol
LogP3.84
Rot. Bonds3

About 2,2,2-trifluoro-1-(1-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-ylindolizin-3-yl)ethanone

2,2,2-trifluoro-1-(1-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-ylindolizin-3-yl)ethanone (PubChem CID 127039446) has the molecular formula C21H17F3N4O2 and a molecular weight of 414.39 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-ylindolizin-3-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-ylindolizin-3-yl)ethanone
PubChem CID127039446
Molecular FormulaC21H17F3N4O2
Molecular Weight414.39 g/mol
Exact Mass414.13
IUPAC Name2,2,2-trifluoro-1-(1-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-ylindolizin-3-yl)ethanone
SMILESO=C(c1cc(-c2cccc3nccn23)c2cc(N3CCOCC3)ccn12)C(F)(F)F
InChIInChI=1S/C21H17F3N4O2/c22-21(23,24)20(29)18-13-15(16-2-1-3-19-25-5-7-28(16)19)17-12-14(4-6-27(17)18)26-8-10-30-11-9-26/h1-7,12-13H,8-11H2
InChIKeyHWZHRYCKINBOJL-UHFFFAOYSA-N
XLogP3.84
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-ylindolizin-3-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(1-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-ylindolizin-3-yl)ethanone (CID 127039446) is 2,2,2-trifluoro-1-(1-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-ylindolizin-3-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-ylindolizin-3-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(1-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-ylindolizin-3-yl)ethanone is O=C(c1cc(-c2cccc3nccn23)c2cc(N3CCOCC3)ccn12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-ylindolizin-3-yl)ethanone?
The InChIKey is HWZHRYCKINBOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O2/c22-21(23,24)20(29)18-13-15(16-2-1-3-19-25-5-7-28(16)19)17-12-14(4-6-27(17)18)26-8-10-30-11-9-26/h1-7,12-13H,8-11H2.
What are the key properties of 2,2,2-trifluoro-1-(1-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-ylindolizin-3-yl)ethanone?
2,2,2-trifluoro-1-(1-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-ylindolizin-3-yl)ethanone has a molecular weight of 414.39 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-ylindolizin-3-yl)ethanone is sourced from PubChem (CID 127039446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).