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

C20H18ClF3N4O3 — CID 51357842

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

4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-propan-2-ylpiperazin-2-one (PubChem CID 51357842) has the molecular formula C20H18ClF3N4O3 and a molecular weight of 454.84 g/mol. Its IUPAC name is 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-propan-2-ylpiperazin-2-one.

Molecular Properties

• Compound Name: 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-propan-2-ylpiperazin-2-one
• PubChem CID: 51357842
• Molecular Formula: C20H18ClF3N4O3
• Molecular Weight: 454.84 g/mol
• Exact Mass: 454.10
• IUPAC Name: 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-propan-2-ylpiperazin-2-one
• SMILES: CC(C)N1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1=O
• InChI: InChI=1S/C20H18ClF3N4O3/c1-11(2)27-5-4-26(9-15(27)29)19(30)16-17(21)28-8-13(12-3-6-31-10-12)7-14(18(28)25-16)20(22,23)24/h3,6-8,10-11H,4-5,9H2,1-2H3
• InChIKey: LFKGTDHXRBYVAE-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 71.06 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.84
LogP ≤ 5	3.96
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-propan-2-ylpiperazin-2-one?

The IUPAC name of 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-propan-2-ylpiperazin-2-one (CID 51357842) is 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-propan-2-ylpiperazin-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-propan-2-ylpiperazin-2-one?

The canonical SMILES for 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-propan-2-ylpiperazin-2-one is CC(C)N1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1=O.

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

The InChIKey is LFKGTDHXRBYVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N4O3/c1-11(2)27-5-4-26(9-15(27)29)19(30)16-17(21)28-8-13(12-3-6-31-10-12)7-14(18(28)25-16)20(22,23)24/h3,6-8,10-11H,4-5,9H2,1-2H3.

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

4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-propan-2-ylpiperazin-2-one has a molecular weight of 454.84 g/mol, XLogP of 3.96, 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-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 51357842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).