5-imidazo[1,2-a]pyridin-3-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide

C20H14F3N3O2S — CID 45273806

IUPAC5-imidazo[1,2-a]pyridin-3-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
SMILESNC(=O)c1sc(-c2cnc3ccccn23)cc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C20H14F3N3O2S/c21-20(22,23)13-6-2-1-5-12(13)11-28-15-9-16(29-18(15)19(24)27)14-10-25-17-7-3-4-8-26(14)17/h1-10H,11H2,(H2,24,27)
InChIKeyPXZAVZVJLWBDCB-UHFFFAOYSA-N
MW417.41 g/mol
LogP4.76
Rot. Bonds5

About 5-imidazo[1,2-a]pyridin-3-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide

5-imidazo[1,2-a]pyridin-3-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide (PubChem CID 45273806) has the molecular formula C20H14F3N3O2S and a molecular weight of 417.41 g/mol. Its IUPAC name is 5-imidazo[1,2-a]pyridin-3-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-imidazo[1,2-a]pyridin-3-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
PubChem CID45273806
Molecular FormulaC20H14F3N3O2S
Molecular Weight417.41 g/mol
Exact Mass417.08
IUPAC Name5-imidazo[1,2-a]pyridin-3-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
SMILESNC(=O)c1sc(-c2cnc3ccccn23)cc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C20H14F3N3O2S/c21-20(22,23)13-6-2-1-5-12(13)11-28-15-9-16(29-18(15)19(24)27)14-10-25-17-7-3-4-8-26(14)17/h1-10H,11H2,(H2,24,27)
InChIKeyPXZAVZVJLWBDCB-UHFFFAOYSA-N
XLogP4.76
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-imidazo[1,2-a]pyridin-3-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The IUPAC name of 5-imidazo[1,2-a]pyridin-3-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide (CID 45273806) is 5-imidazo[1,2-a]pyridin-3-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-imidazo[1,2-a]pyridin-3-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-imidazo[1,2-a]pyridin-3-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide is NC(=O)c1sc(-c2cnc3ccccn23)cc1OCc1ccccc1C(F)(F)F.
What is the InChIKey of 5-imidazo[1,2-a]pyridin-3-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The InChIKey is PXZAVZVJLWBDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O2S/c21-20(22,23)13-6-2-1-5-12(13)11-28-15-9-16(29-18(15)19(24)27)14-10-25-17-7-3-4-8-26(14)17/h1-10H,11H2,(H2,24,27).
What are the key properties of 5-imidazo[1,2-a]pyridin-3-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
5-imidazo[1,2-a]pyridin-3-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide has a molecular weight of 417.41 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazo[1,2-a]pyridin-3-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide is sourced from PubChem (CID 45273806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).