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

C22H20ClF3N4OS — CID 90739145

IUPAC[3-chloro-6-hex-3-en-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
SMILESCCC=C(CC)c1cc(C(F)(F)F)c2nc(C(=O)N3CC=C(c4nccs4)C3)c(Cl)n2c1
InChIInChI=1S/C22H20ClF3N4OS/c1-3-5-13(4-2)15-10-16(22(24,25)26)19-28-17(18(23)30(19)12-15)21(31)29-8-6-14(11-29)20-27-7-9-32-20/h5-7,9-10,12H,3-4,8,11H2,1-2H3
InChIKeySMPXOFSGBSJUEM-UHFFFAOYSA-N
MW480.94 g/mol
LogP6.21
Rot. Bonds5

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

[3-chloro-6-hex-3-en-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone (PubChem CID 90739145) has the molecular formula C22H20ClF3N4OS and a molecular weight of 480.94 g/mol. Its IUPAC name is [3-chloro-6-hex-3-en-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone.

Molecular Properties

Compound Name[3-chloro-6-hex-3-en-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
PubChem CID90739145
Molecular FormulaC22H20ClF3N4OS
Molecular Weight480.94 g/mol
Exact Mass480.10
IUPAC Name[3-chloro-6-hex-3-en-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
SMILESCCC=C(CC)c1cc(C(F)(F)F)c2nc(C(=O)N3CC=C(c4nccs4)C3)c(Cl)n2c1
InChIInChI=1S/C22H20ClF3N4OS/c1-3-5-13(4-2)15-10-16(22(24,25)26)19-28-17(18(23)30(19)12-15)21(31)29-8-6-14(11-29)20-27-7-9-32-20/h5-7,9-10,12H,3-4,8,11H2,1-2H3
InChIKeySMPXOFSGBSJUEM-UHFFFAOYSA-N
XLogP6.21
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.94
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one
CID 67084951
2-acetyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 143763062
[3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1H-imidazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone
CID 59443883
[3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]methanone
CID 46864547
4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-5-methyl-1-(1,3-thiazol-2-yl)piperazin-2-one
CID 51353912
4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(3,4-difluorohepta-2,4-dienyl)piperazin-2-one
CID 123602392
4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one
CID 51354205
2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 59443893
4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(oxan-4-yl)piperazin-2-one
CID 67084931
4-tert-butyl-1-[3-chloro-6-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1,2,4-triazinan-3-one
CID 130355893
4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohex-3-en-1-ylpiperazin-2-one
CID 51356170
3-chloro-6-thiophen-2-yl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 25190107

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-hex-3-en-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone?
The IUPAC name of [3-chloro-6-hex-3-en-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone (CID 90739145) is [3-chloro-6-hex-3-en-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone.
What is the SMILES notation for [3-chloro-6-hex-3-en-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone?
The canonical SMILES for [3-chloro-6-hex-3-en-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone is CCC=C(CC)c1cc(C(F)(F)F)c2nc(C(=O)N3CC=C(c4nccs4)C3)c(Cl)n2c1.
What is the InChIKey of [3-chloro-6-hex-3-en-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone?
The InChIKey is SMPXOFSGBSJUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N4OS/c1-3-5-13(4-2)15-10-16(22(24,25)26)19-28-17(18(23)30(19)12-15)21(31)29-8-6-14(11-29)20-27-7-9-32-20/h5-7,9-10,12H,3-4,8,11H2,1-2H3.
What are the key properties of [3-chloro-6-hex-3-en-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone?
[3-chloro-6-hex-3-en-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone has a molecular weight of 480.94 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-hex-3-en-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone is sourced from PubChem (CID 90739145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).