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

C21H15ClF3N5O3S — CID 51353912

About 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

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 (PubChem CID 51353912) has the molecular formula C21H15ClF3N5O3S and a molecular weight of 509.90 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 51353912
• Molecular Formula: C21H15ClF3N5O3S
• Molecular Weight: 509.90 g/mol
• Exact Mass: 509.05
• IUPAC Name: 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
• SMILES: CC1CN(c2nccs2)C(=O)CN1C(=O)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl
• InChI: InChI=1S/C21H15ClF3N5O3S/c1-11-7-29(20-26-3-5-34-20)15(31)9-28(11)19(32)16-17(22)30-8-13(12-2-4-33-10-12)6-14(18(30)27-16)21(23,24)25/h2-6,8,10-11H,7,9H2,1H3
• InChIKey: ADWAVJDVUJUBJQ-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 83.95 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.90
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC1CN(c2nccs2)C(=O)CN1C(=O)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl.

What is the InChIKey of 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?

The InChIKey is ADWAVJDVUJUBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N5O3S/c1-11-7-29(20-26-3-5-34-20)15(31)9-28(11)19(32)16-17(22)30-8-13(12-2-4-33-10-12)6-14(18(30)27-16)21(23,24)25/h2-6,8,10-11H,7,9H2,1H3.

What are the key properties of 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?

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 has a molecular weight of 509.90 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 51353912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).