2-[1-[[7-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole

C20H14ClF3N4OS — CID 68789381

IUPAC2-[1-[[7-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole
SMILESFC(F)(F)c1c(Cl)c(-c2ccoc2)cn2cc(CN3CC=C(c4nccs4)C3)nc12
InChIInChI=1S/C20H14ClF3N4OS/c21-17-15(13-2-5-29-11-13)10-28-9-14(26-18(28)16(17)20(22,23)24)8-27-4-1-12(7-27)19-25-3-6-30-19/h1-3,5-6,9-11H,4,7-8H2
InChIKeyUDTRJZHPFOEXNI-UHFFFAOYSA-N
MW450.87 g/mol
LogP5.62
Rot. Bonds4

About 2-[1-[[7-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole

2-[1-[[7-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole (PubChem CID 68789381) has the molecular formula C20H14ClF3N4OS and a molecular weight of 450.87 g/mol. Its IUPAC name is 2-[1-[[7-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[[7-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole
PubChem CID68789381
Molecular FormulaC20H14ClF3N4OS
Molecular Weight450.87 g/mol
Exact Mass450.05
IUPAC Name2-[1-[[7-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole
SMILESFC(F)(F)c1c(Cl)c(-c2ccoc2)cn2cc(CN3CC=C(c4nccs4)C3)nc12
InChIInChI=1S/C20H14ClF3N4OS/c21-17-15(13-2-5-29-11-13)10-28-9-14(26-18(28)16(17)20(22,23)24)8-27-4-1-12(7-27)19-25-3-6-30-19/h1-3,5-6,9-11H,4,7-8H2
InChIKeyUDTRJZHPFOEXNI-UHFFFAOYSA-N
XLogP5.62
TPSA46.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.87
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-[[7-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[7-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[[7-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole (CID 68789381) is 2-[1-[[7-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[[7-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[[7-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole is FC(F)(F)c1c(Cl)c(-c2ccoc2)cn2cc(CN3CC=C(c4nccs4)C3)nc12.
What is the InChIKey of 2-[1-[[7-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole?
The InChIKey is UDTRJZHPFOEXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N4OS/c21-17-15(13-2-5-29-11-13)10-28-9-14(26-18(28)16(17)20(22,23)24)8-27-4-1-12(7-27)19-25-3-6-30-19/h1-3,5-6,9-11H,4,7-8H2.
What are the key properties of 2-[1-[[7-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole?
2-[1-[[7-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole has a molecular weight of 450.87 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[7-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole is sourced from PubChem (CID 68789381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).