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

C20H19ClF3N5O2S — CID 67084951

IUPAC4-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one
SMILESCC(C)Cc1cc(C(F)(F)F)c2nc(C(=O)N3CCN(c4nccs4)C(=O)C3)c(Cl)n2c1
InChIInChI=1S/C20H19ClF3N5O2S/c1-11(2)7-12-8-13(20(22,23)24)17-26-15(16(21)29(17)9-12)18(31)27-4-5-28(14(30)10-27)19-25-3-6-32-19/h3,6,8-9,11H,4-5,7,10H2,1-2H3
InChIKeyHGWZIFDQBSUYFS-UHFFFAOYSA-N
MW485.92 g/mol
LogP4.15
Rot. Bonds4

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

4-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one (PubChem CID 67084951) has the molecular formula C20H19ClF3N5O2S and a molecular weight of 485.92 g/mol. Its IUPAC name is 4-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one.

Molecular Properties

Compound Name4-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one
PubChem CID67084951
Molecular FormulaC20H19ClF3N5O2S
Molecular Weight485.92 g/mol
Exact Mass485.09
IUPAC Name4-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one
SMILESCC(C)Cc1cc(C(F)(F)F)c2nc(C(=O)N3CCN(c4nccs4)C(=O)C3)c(Cl)n2c1
InChIInChI=1S/C20H19ClF3N5O2S/c1-11(2)7-12-8-13(20(22,23)24)17-26-15(16(21)29(17)9-12)18(31)27-4-5-28(14(30)10-27)19-25-3-6-32-19/h3,6,8-9,11H,4-5,7,10H2,1-2H3
InChIKeyHGWZIFDQBSUYFS-UHFFFAOYSA-N
XLogP4.15
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.92
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one?
The IUPAC name of 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) is 4-[3-chloro-6-(2-methylpropyl)-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-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one?
The canonical SMILES for 4-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one is CC(C)Cc1cc(C(F)(F)F)c2nc(C(=O)N3CCN(c4nccs4)C(=O)C3)c(Cl)n2c1.
What is the InChIKey of 4-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one?
The InChIKey is HGWZIFDQBSUYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N5O2S/c1-11(2)7-12-8-13(20(22,23)24)17-26-15(16(21)29(17)9-12)18(31)27-4-5-28(14(30)10-27)19-25-3-6-32-19/h3,6,8-9,11H,4-5,7,10H2,1-2H3.
What are the key properties of 4-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one?
4-[3-chloro-6-(2-methylpropyl)-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 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one is sourced from PubChem (CID 67084951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).