[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone

C20H12ClF3N4O2S — CID 46864760

IUPAC[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2cncs2)C1
InChIInChI=1S/C20H12ClF3N4O2S/c21-17-16(19(29)27-3-1-11(7-27)15-6-25-10-31-15)26-18-14(20(22,23)24)5-13(8-28(17)18)12-2-4-30-9-12/h1-2,4-6,8-10H,3,7H2
InChIKeyFDNADLIRBISBSX-UHFFFAOYSA-N
MW464.86 g/mol
LogP5.26
Rot. Bonds3

About [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone

[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone (PubChem CID 46864760) has the molecular formula C20H12ClF3N4O2S and a molecular weight of 464.86 g/mol. Its IUPAC name is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone.

Molecular Properties

Compound Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone
PubChem CID46864760
Molecular FormulaC20H12ClF3N4O2S
Molecular Weight464.86 g/mol
Exact Mass464.03
IUPAC Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2cncs2)C1
InChIInChI=1S/C20H12ClF3N4O2S/c21-17-16(19(29)27-3-1-11(7-27)15-6-25-10-31-15)26-18-14(20(22,23)24)5-13(8-28(17)18)12-2-4-30-9-12/h1-2,4-6,8-10H,3,7H2
InChIKeyFDNADLIRBISBSX-UHFFFAOYSA-N
XLogP5.26
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.86
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone?
The IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone (CID 46864760) is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone.
What is the SMILES notation for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone?
The canonical SMILES for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone is O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2cncs2)C1.
What is the InChIKey of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone?
The InChIKey is FDNADLIRBISBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N4O2S/c21-17-16(19(29)27-3-1-11(7-27)15-6-25-10-31-15)26-18-14(20(22,23)24)5-13(8-28(17)18)12-2-4-30-9-12/h1-2,4-6,8-10H,3,7H2.
What are the key properties of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone?
[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone has a molecular weight of 464.86 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone is sourced from PubChem (CID 46864760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).