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

C22H20ClF3N4O3 — CID 46870989

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

1-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 46870989) has the molecular formula C22H20ClF3N4O3 and a molecular weight of 480.87 g/mol. Its IUPAC name is 1-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one
• PubChem CID: 46870989
• Molecular Formula: C22H20ClF3N4O3
• Molecular Weight: 480.87 g/mol
• Exact Mass: 480.12
• IUPAC Name: 1-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one
• SMILES: O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(N2CCCC2=O)CC1
• InChI: InChI=1S/C22H20ClF3N4O3/c23-19-18(21(32)28-7-3-15(4-8-28)29-6-1-2-17(29)31)27-20-16(22(24,25)26)10-14(11-30(19)20)13-5-9-33-12-13/h5,9-12,15H,1-4,6-8H2
• InChIKey: QASPWYUUCGVAQD-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 71.06 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.87
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one?

The IUPAC name of 1-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one (CID 46870989) is 1-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one.

What is the SMILES notation for 1-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one?

The canonical SMILES for 1-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one is O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(N2CCCC2=O)CC1.

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

The InChIKey is QASPWYUUCGVAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N4O3/c23-19-18(21(32)28-7-3-15(4-8-28)29-6-1-2-17(29)31)27-20-16(22(24,25)26)10-14(11-30(19)20)13-5-9-33-12-13/h5,9-12,15H,1-4,6-8H2.

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

1-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 480.87 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 46870989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).