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

C20H22ClF3N4O3 — CID 46871332

IUPAC3-[1-[3-chloro-6-propyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCCc1cc(C(F)(F)F)c2nc(C(=O)N3CCC(N4CCOC4=O)CC3)c(Cl)n2c1
InChIInChI=1S/C20H22ClF3N4O3/c1-2-3-12-10-14(20(22,23)24)17-25-15(16(21)28(17)11-12)18(29)26-6-4-13(5-7-26)27-8-9-31-19(27)30/h10-11,13H,2-9H2,1H3
InChIKeyZXMAYZPHEVNLGL-UHFFFAOYSA-N
MW458.87 g/mol
LogP4.02
Rot. Bonds4

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

3-[1-[3-chloro-6-propyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 46871332) has the molecular formula C20H22ClF3N4O3 and a molecular weight of 458.87 g/mol. Its IUPAC name is 3-[1-[3-chloro-6-propyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[3-chloro-6-propyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID46871332
Molecular FormulaC20H22ClF3N4O3
Molecular Weight458.87 g/mol
Exact Mass458.13
IUPAC Name3-[1-[3-chloro-6-propyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCCc1cc(C(F)(F)F)c2nc(C(=O)N3CCC(N4CCOC4=O)CC3)c(Cl)n2c1
InChIInChI=1S/C20H22ClF3N4O3/c1-2-3-12-10-14(20(22,23)24)17-25-15(16(21)28(17)11-12)18(29)26-6-4-13(5-7-26)27-8-9-31-19(27)30/h10-11,13H,2-9H2,1H3
InChIKeyZXMAYZPHEVNLGL-UHFFFAOYSA-N
XLogP4.02
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.87
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-chloro-6-propyl-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-propyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 46871332) is 3-[1-[3-chloro-6-propyl-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-propyl-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-propyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is CCCc1cc(C(F)(F)F)c2nc(C(=O)N3CCC(N4CCOC4=O)CC3)c(Cl)n2c1.
What is the InChIKey of 3-[1-[3-chloro-6-propyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is ZXMAYZPHEVNLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClF3N4O3/c1-2-3-12-10-14(20(22,23)24)17-25-15(16(21)28(17)11-12)18(29)26-6-4-13(5-7-26)27-8-9-31-19(27)30/h10-11,13H,2-9H2,1H3.
What are the key properties of 3-[1-[3-chloro-6-propyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[3-chloro-6-propyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 458.87 g/mol, XLogP of 4.02, 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-propyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 46871332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).