4-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one

C20H19ClF3N5O2S — CID 51355059

IUPAC4-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one
SMILESCCCCc1cc(C(F)(F)F)c2nc(C(=O)N3CCN(c4nccs4)C(=O)C3)c(Cl)n2c1
InChIInChI=1S/C20H19ClF3N5O2S/c1-2-3-4-12-9-13(20(22,23)24)17-26-15(16(21)29(17)10-12)18(31)27-6-7-28(14(30)11-27)19-25-5-8-32-19/h5,8-10H,2-4,6-7,11H2,1H3
InChIKeyCSFWCUNRTYEASL-UHFFFAOYSA-N
MW485.92 g/mol
LogP4.29
Rot. Bonds5

About 4-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one

4-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one (PubChem CID 51355059) has the molecular formula C20H19ClF3N5O2S and a molecular weight of 485.92 g/mol. Its IUPAC name is 4-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one.

Molecular Properties

Compound Name4-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one
PubChem CID51355059
Molecular FormulaC20H19ClF3N5O2S
Molecular Weight485.92 g/mol
Exact Mass485.09
IUPAC Name4-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one
SMILESCCCCc1cc(C(F)(F)F)c2nc(C(=O)N3CCN(c4nccs4)C(=O)C3)c(Cl)n2c1
InChIInChI=1S/C20H19ClF3N5O2S/c1-2-3-4-12-9-13(20(22,23)24)17-26-15(16(21)29(17)10-12)18(31)27-6-7-28(14(30)11-27)19-25-5-8-32-19/h5,8-10H,2-4,6-7,11H2,1H3
InChIKeyCSFWCUNRTYEASL-UHFFFAOYSA-N
XLogP4.29
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.92
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one?
The IUPAC name of 4-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one (CID 51355059) is 4-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one.
What is the SMILES notation for 4-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one?
The canonical SMILES for 4-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one is CCCCc1cc(C(F)(F)F)c2nc(C(=O)N3CCN(c4nccs4)C(=O)C3)c(Cl)n2c1.
What is the InChIKey of 4-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one?
The InChIKey is CSFWCUNRTYEASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N5O2S/c1-2-3-4-12-9-13(20(22,23)24)17-26-15(16(21)29(17)10-12)18(31)27-6-7-28(14(30)11-27)19-25-5-8-32-19/h5,8-10H,2-4,6-7,11H2,1H3.
What are the key properties of 4-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one?
4-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one has a molecular weight of 485.92 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one is sourced from PubChem (CID 51355059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).