3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one

C23H22ClF3N4O4 — CID 46870628

IUPAC3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)CN(C2CCN(C(=O)c3nc4c(C(F)(F)F)cc(-c5ccoc5)cn4c3Cl)CC2)C(=O)O1
InChIInChI=1S/C23H22ClF3N4O4/c1-22(2)12-31(21(33)35-22)15-3-6-29(7-4-15)20(32)17-18(24)30-10-14(13-5-8-34-11-13)9-16(19(30)28-17)23(25,26)27/h5,8-11,15H,3-4,6-7,12H2,1-2H3
InChIKeyOYYLLUAYGRHYPR-UHFFFAOYSA-N
MW510.90 g/mol
LogP5.10
Rot. Bonds3

About 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one

3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 46870628) has the molecular formula C23H22ClF3N4O4 and a molecular weight of 510.90 g/mol. Its IUPAC name is 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID46870628
Molecular FormulaC23H22ClF3N4O4
Molecular Weight510.90 g/mol
Exact Mass510.13
IUPAC Name3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)CN(C2CCN(C(=O)c3nc4c(C(F)(F)F)cc(-c5ccoc5)cn4c3Cl)CC2)C(=O)O1
InChIInChI=1S/C23H22ClF3N4O4/c1-22(2)12-31(21(33)35-22)15-3-6-29(7-4-15)20(32)17-18(24)30-10-14(13-5-8-34-11-13)9-16(19(30)28-17)23(25,26)27/h5,8-11,15H,3-4,6-7,12H2,1-2H3
InChIKeyOYYLLUAYGRHYPR-UHFFFAOYSA-N
XLogP5.10
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.90
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one (CID 46870628) is 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one is CC1(C)CN(C2CCN(C(=O)c3nc4c(C(F)(F)F)cc(-c5ccoc5)cn4c3Cl)CC2)C(=O)O1.
What is the InChIKey of 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is OYYLLUAYGRHYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N4O4/c1-22(2)12-31(21(33)35-22)15-3-6-29(7-4-15)20(32)17-18(24)30-10-14(13-5-8-34-11-13)9-16(19(30)28-17)23(25,26)27/h5,8-11,15H,3-4,6-7,12H2,1-2H3.
What are the key properties of 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one?
3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 510.90 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 46870628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).