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

C20H16ClF3N4OS — CID 68789379

IUPAC2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole;hydrochloride
SMILESCl.FC(F)(F)c1cc(-c2ccoc2)cn2cc(CN3CC=C(c4nccs4)C3)nc12
InChIInChI=1S/C20H15F3N4OS.ClH/c21-20(22,23)17-7-15(14-2-5-28-12-14)9-27-11-16(25-18(17)27)10-26-4-1-13(8-26)19-24-3-6-29-19;/h1-3,5-7,9,11-12H,4,8,10H2;1H
InChIKeyYGCHRZRJCZFGKE-UHFFFAOYSA-N
MW452.89 g/mol
LogP5.39
Rot. Bonds4

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

2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole;hydrochloride (PubChem CID 68789379) has the molecular formula C20H16ClF3N4OS and a molecular weight of 452.89 g/mol. Its IUPAC name is 2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole;hydrochloride
PubChem CID68789379
Molecular FormulaC20H16ClF3N4OS
Molecular Weight452.89 g/mol
Exact Mass452.07
IUPAC Name2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole;hydrochloride
SMILESCl.FC(F)(F)c1cc(-c2ccoc2)cn2cc(CN3CC=C(c4nccs4)C3)nc12
InChIInChI=1S/C20H15F3N4OS.ClH/c21-20(22,23)17-7-15(14-2-5-28-12-14)9-27-11-16(25-18(17)27)10-26-4-1-13(8-26)19-24-3-6-29-19;/h1-3,5-7,9,11-12H,4,8,10H2;1H
InChIKeyYGCHRZRJCZFGKE-UHFFFAOYSA-N
XLogP5.39
TPSA46.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.89
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole;hydrochloride?
The IUPAC name of 2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole;hydrochloride (CID 68789379) is 2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole;hydrochloride is Cl.FC(F)(F)c1cc(-c2ccoc2)cn2cc(CN3CC=C(c4nccs4)C3)nc12.
What is the InChIKey of 2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole;hydrochloride?
The InChIKey is YGCHRZRJCZFGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4OS.ClH/c21-20(22,23)17-7-15(14-2-5-28-12-14)9-27-11-16(25-18(17)27)10-26-4-1-13(8-26)19-24-3-6-29-19;/h1-3,5-7,9,11-12H,4,8,10H2;1H.
What are the key properties of 2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole;hydrochloride?
2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole;hydrochloride has a molecular weight of 452.89 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 68789379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).