7-(4-propan-2-yloxyphenyl)-3-thiophen-2-ylimidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid

C22H19F3N2O3S — CID 57339379

IUPAC7-(4-propan-2-yloxyphenyl)-3-thiophen-2-ylimidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCC(C)Oc1ccc(-c2ccn3c(-c4cccs4)cnc3c2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H18N2OS.C2HF3O2/c1-14(2)23-17-7-5-15(6-8-17)16-9-10-22-18(13-21-20(22)12-16)19-4-3-11-24-19;3-2(4,5)1(6)7/h3-14H,1-2H3;(H,6,7)
InChIKeyBMKCFTSRYIHZGS-UHFFFAOYSA-N
MW448.47 g/mol
LogP6.15
Rot. Bonds4

About 7-(4-propan-2-yloxyphenyl)-3-thiophen-2-ylimidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid

7-(4-propan-2-yloxyphenyl)-3-thiophen-2-ylimidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 57339379) has the molecular formula C22H19F3N2O3S and a molecular weight of 448.47 g/mol. Its IUPAC name is 7-(4-propan-2-yloxyphenyl)-3-thiophen-2-ylimidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-(4-propan-2-yloxyphenyl)-3-thiophen-2-ylimidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid
PubChem CID57339379
Molecular FormulaC22H19F3N2O3S
Molecular Weight448.47 g/mol
Exact Mass448.11
IUPAC Name7-(4-propan-2-yloxyphenyl)-3-thiophen-2-ylimidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCC(C)Oc1ccc(-c2ccn3c(-c4cccs4)cnc3c2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H18N2OS.C2HF3O2/c1-14(2)23-17-7-5-15(6-8-17)16-9-10-22-18(13-21-20(22)12-16)19-4-3-11-24-19;3-2(4,5)1(6)7/h3-14H,1-2H3;(H,6,7)
InChIKeyBMKCFTSRYIHZGS-UHFFFAOYSA-N
XLogP6.15
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.47
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-propan-2-yloxyphenyl)-3-thiophen-2-ylimidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-(4-propan-2-yloxyphenyl)-3-thiophen-2-ylimidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid (CID 57339379) is 7-(4-propan-2-yloxyphenyl)-3-thiophen-2-ylimidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-(4-propan-2-yloxyphenyl)-3-thiophen-2-ylimidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-(4-propan-2-yloxyphenyl)-3-thiophen-2-ylimidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid is CC(C)Oc1ccc(-c2ccn3c(-c4cccs4)cnc3c2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 7-(4-propan-2-yloxyphenyl)-3-thiophen-2-ylimidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is BMKCFTSRYIHZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS.C2HF3O2/c1-14(2)23-17-7-5-15(6-8-17)16-9-10-22-18(13-21-20(22)12-16)19-4-3-11-24-19;3-2(4,5)1(6)7/h3-14H,1-2H3;(H,6,7).
What are the key properties of 7-(4-propan-2-yloxyphenyl)-3-thiophen-2-ylimidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid?
7-(4-propan-2-yloxyphenyl)-3-thiophen-2-ylimidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 448.47 g/mol, XLogP of 6.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-propan-2-yloxyphenyl)-3-thiophen-2-ylimidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 57339379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).