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

C21H24ClF3N4O3 — CID 46871409

IUPAC3-[1-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCCCc1cc(C(F)(F)F)c2nc(C(=O)N3CCC(N4CCOC4=O)CC3)c(Cl)n2c1
InChIInChI=1S/C21H24ClF3N4O3/c1-2-3-4-13-11-15(21(23,24)25)18-26-16(17(22)29(18)12-13)19(30)27-7-5-14(6-8-27)28-9-10-32-20(28)31/h11-12,14H,2-10H2,1H3
InChIKeyGTCUIEPIOSOBHF-UHFFFAOYSA-N
MW472.90 g/mol
LogP4.41
Rot. Bonds5

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

3-[1-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 46871409) has the molecular formula C21H24ClF3N4O3 and a molecular weight of 472.90 g/mol. Its IUPAC name is 3-[1-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID46871409
Molecular FormulaC21H24ClF3N4O3
Molecular Weight472.90 g/mol
Exact Mass472.15
IUPAC Name3-[1-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCCCc1cc(C(F)(F)F)c2nc(C(=O)N3CCC(N4CCOC4=O)CC3)c(Cl)n2c1
InChIInChI=1S/C21H24ClF3N4O3/c1-2-3-4-13-11-15(21(23,24)25)18-26-16(17(22)29(18)12-13)19(30)27-7-5-14(6-8-27)28-9-10-32-20(28)31/h11-12,14H,2-10H2,1H3
InChIKeyGTCUIEPIOSOBHF-UHFFFAOYSA-N
XLogP4.41
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.90
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 46871409) is 3-[1-[6-butyl-3-chloro-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-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is CCCCc1cc(C(F)(F)F)c2nc(C(=O)N3CCC(N4CCOC4=O)CC3)c(Cl)n2c1.
What is the InChIKey of 3-[1-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is GTCUIEPIOSOBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClF3N4O3/c1-2-3-4-13-11-15(21(23,24)25)18-26-16(17(22)29(18)12-13)19(30)27-7-5-14(6-8-27)28-9-10-32-20(28)31/h11-12,14H,2-10H2,1H3.
What are the key properties of 3-[1-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 472.90 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 46871409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).