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

C22H20ClF3N4O4 — CID 59547270

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

3-[(3S,4S)-1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-methylpiperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 59547270) has the molecular formula C22H20ClF3N4O4 and a molecular weight of 496.87 g/mol. Its IUPAC name is 3-[(3S,4S)-1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-methylpiperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[(3S,4S)-1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-methylpiperidin-4-yl]-1,3-oxazolidin-2-one
• PubChem CID: 59547270
• Molecular Formula: C22H20ClF3N4O4
• Molecular Weight: 496.87 g/mol
• Exact Mass: 496.11
• IUPAC Name: 3-[(3S,4S)-1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-methylpiperidin-4-yl]-1,3-oxazolidin-2-one
• SMILES: C[C@H]1CN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC[C@@H]1N1CCOC1=O
• InChI: InChI=1S/C22H20ClF3N4O4/c1-12-9-28(4-2-16(12)29-5-7-34-21(29)32)20(31)17-18(23)30-10-14(13-3-6-33-11-13)8-15(19(30)27-17)22(24,25)26/h3,6,8,10-12,16H,2,4-5,7,9H2,1H3/t12-,16-/m0/s1
• InChIKey: FAGPZGVKBJRDEC-LRDDRELGSA-N
• XLogP: 4.57
• TPSA: 80.29 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.87
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[(3S,4S)-1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-methylpiperidin-4-yl]-1,3-oxazolidin-2-one (CID 59547270) is 3-[(3S,4S)-1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-methylpiperidin-4-yl]-1,3-oxazolidin-2-one.

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

The canonical SMILES for 3-[(3S,4S)-1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-methylpiperidin-4-yl]-1,3-oxazolidin-2-one is C[C@H]1CN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC[C@@H]1N1CCOC1=O.

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

The InChIKey is FAGPZGVKBJRDEC-LRDDRELGSA-N. The full InChI is InChI=1S/C22H20ClF3N4O4/c1-12-9-28(4-2-16(12)29-5-7-34-21(29)32)20(31)17-18(23)30-10-14(13-3-6-33-11-13)8-15(19(30)27-17)22(24,25)26/h3,6,8,10-12,16H,2,4-5,7,9H2,1H3/t12-,16-/m0/s1.

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

3-[(3S,4S)-1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-methylpiperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 496.87 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3S,4S)-1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-methylpiperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59547270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).