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

C23H15ClF4N4O3 — CID 51357289

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

4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(2-fluorophenyl)piperazin-2-one (PubChem CID 51357289) has the molecular formula C23H15ClF4N4O3 and a molecular weight of 506.84 g/mol. Its IUPAC name is 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(2-fluorophenyl)piperazin-2-one.

Molecular Properties

• Compound Name: 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(2-fluorophenyl)piperazin-2-one
• PubChem CID: 51357289
• Molecular Formula: C23H15ClF4N4O3
• Molecular Weight: 506.84 g/mol
• Exact Mass: 506.08
• IUPAC Name: 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(2-fluorophenyl)piperazin-2-one
• SMILES: O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCN(c2ccccc2F)C(=O)C1
• InChI: InChI=1S/C23H15ClF4N4O3/c24-20-19(22(34)30-6-7-31(18(33)11-30)17-4-2-1-3-16(17)25)29-21-15(23(26,27)28)9-14(10-32(20)21)13-5-8-35-12-13/h1-5,8-10,12H,6-7,11H2
• InChIKey: QIKMWIIYBVDXGX-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 71.06 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.84
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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]-1-(2-fluorophenyl)piperazin-2-one?

The IUPAC name of 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(2-fluorophenyl)piperazin-2-one (CID 51357289) is 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(2-fluorophenyl)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]-1-(2-fluorophenyl)piperazin-2-one?

The canonical SMILES for 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(2-fluorophenyl)piperazin-2-one is O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCN(c2ccccc2F)C(=O)C1.

What is the InChIKey of 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(2-fluorophenyl)piperazin-2-one?

The InChIKey is QIKMWIIYBVDXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF4N4O3/c24-20-19(22(34)30-6-7-31(18(33)11-30)17-4-2-1-3-16(17)25)29-21-15(23(26,27)28)9-14(10-32(20)21)13-5-8-35-12-13/h1-5,8-10,12H,6-7,11H2.

What are the key properties of 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(2-fluorophenyl)piperazin-2-one?

4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(2-fluorophenyl)piperazin-2-one has a molecular weight of 506.84 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 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]-1-(2-fluorophenyl)piperazin-2-one is sourced from PubChem (CID 51357289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).