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

C20H22ClF3N4O3 — CID 71455163

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

3-[1-[3-chloro-6-(1,2-ditritiopropan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 71455163) has the molecular formula C20H22ClF3N4O3 and a molecular weight of 462.88 g/mol. Its IUPAC name is 3-[1-[3-chloro-6-(1,2-ditritiopropan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[1-[3-chloro-6-(1,2-ditritiopropan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
• PubChem CID: 71455163
• Molecular Formula: C20H22ClF3N4O3
• Molecular Weight: 462.88 g/mol
• Exact Mass: 462.15
• IUPAC Name: 3-[1-[3-chloro-6-(1,2-ditritiopropan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
• SMILES: [3H]CC([3H])(C)c1cc(C(F)(F)F)c2nc(C(=O)N3CCC(N4CCOC4=O)CC3)c(Cl)n2c1
• InChI: InChI=1S/C20H22ClF3N4O3/c1-11(2)12-9-14(20(22,23)24)17-25-15(16(21)28(17)10-12)18(29)26-5-3-13(4-6-26)27-7-8-31-19(27)30/h9-11,13H,3-8H2,1-2H3/i1T,11T
• InChIKey: ATKLPDOYMIQGBN-BCCRJDKKSA-N
• XLogP: 4.19
• TPSA: 67.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.88
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[1-[3-chloro-6-(1,2-ditritiopropan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 71455163) is 3-[1-[3-chloro-6-(1,2-ditritiopropan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

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

The canonical SMILES for 3-[1-[3-chloro-6-(1,2-ditritiopropan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is [3H]CC([3H])(C)c1cc(C(F)(F)F)c2nc(C(=O)N3CCC(N4CCOC4=O)CC3)c(Cl)n2c1.

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

The InChIKey is ATKLPDOYMIQGBN-BCCRJDKKSA-N. The full InChI is InChI=1S/C20H22ClF3N4O3/c1-11(2)12-9-14(20(22,23)24)17-25-15(16(21)28(17)10-12)18(29)26-5-3-13(4-6-26)27-7-8-31-19(27)30/h9-11,13H,3-8H2,1-2H3/i1T,11T.

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

3-[1-[3-chloro-6-(1,2-ditritiopropan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 462.88 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[3-chloro-6-(1,2-ditritiopropan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71455163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).