[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

C21H15ClF3N3O2S — CID 25190231

IUPAC[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl)N1CCCC1c1cccs1
InChIInChI=1S/C21H15ClF3N3O2S/c22-18-17(20(29)27-7-1-4-14(27)16-6-3-9-31-16)26-19-13(21(23,24)25)10-12(11-28(18)19)15-5-2-8-30-15/h2-3,5-6,8-11,14H,1,4,7H2
InChIKeyWZRKIHQYNUNKHJ-UHFFFAOYSA-N
MW465.88 g/mol
LogP6.31
Rot. Bonds3

About [3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (PubChem CID 25190231) has the molecular formula C21H15ClF3N3O2S and a molecular weight of 465.88 g/mol. Its IUPAC name is [3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
PubChem CID25190231
Molecular FormulaC21H15ClF3N3O2S
Molecular Weight465.88 g/mol
Exact Mass465.05
IUPAC Name[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl)N1CCCC1c1cccs1
InChIInChI=1S/C21H15ClF3N3O2S/c22-18-17(20(29)27-7-1-4-14(27)16-6-3-9-31-16)26-19-13(21(23,24)25)10-12(11-28(18)19)15-5-2-8-30-15/h2-3,5-6,8-11,14H,1,4,7H2
InChIKeyWZRKIHQYNUNKHJ-UHFFFAOYSA-N
XLogP6.31
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.88
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (CID 25190231) is [3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is O=C(c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl)N1CCCC1c1cccs1.
What is the InChIKey of [3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is WZRKIHQYNUNKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N3O2S/c22-18-17(20(29)27-7-1-4-14(27)16-6-3-9-31-16)26-19-13(21(23,24)25)10-12(11-28(18)19)15-5-2-8-30-15/h2-3,5-6,8-11,14H,1,4,7H2.
What are the key properties of [3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 465.88 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 25190231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).