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

C21H24ClF3N4O4 — CID 46870814

IUPAC3-[(3S,4S)-1-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-hydroxypiperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)Cc1cc(C(F)(F)F)c2nc(C(=O)N3CC[C@H](N4CCOC4=O)[C@@H](O)C3)c(Cl)n2c1
InChIInChI=1S/C21H24ClF3N4O4/c1-11(2)7-12-8-13(21(23,24)25)18-26-16(17(22)29(18)9-12)19(31)27-4-3-14(15(30)10-27)28-5-6-33-20(28)32/h8-9,11,14-15,30H,3-7,10H2,1-2H3/t14-,15-/m0/s1
InChIKeyWKVUNXFOXVRIMZ-GJZGRUSLSA-N
MW488.89 g/mol
LogP3.23
Rot. Bonds4

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

3-[(3S,4S)-1-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-hydroxypiperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 46870814) has the molecular formula C21H24ClF3N4O4 and a molecular weight of 488.89 g/mol. Its IUPAC name is 3-[(3S,4S)-1-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-hydroxypiperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3S,4S)-1-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-hydroxypiperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID46870814
Molecular FormulaC21H24ClF3N4O4
Molecular Weight488.89 g/mol
Exact Mass488.14
IUPAC Name3-[(3S,4S)-1-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-hydroxypiperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)Cc1cc(C(F)(F)F)c2nc(C(=O)N3CC[C@H](N4CCOC4=O)[C@@H](O)C3)c(Cl)n2c1
InChIInChI=1S/C21H24ClF3N4O4/c1-11(2)7-12-8-13(21(23,24)25)18-26-16(17(22)29(18)9-12)19(31)27-4-3-14(15(30)10-27)28-5-6-33-20(28)32/h8-9,11,14-15,30H,3-7,10H2,1-2H3/t14-,15-/m0/s1
InChIKeyWKVUNXFOXVRIMZ-GJZGRUSLSA-N
XLogP3.23
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.89
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4S)-1-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-hydroxypiperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3S,4S)-1-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-hydroxypiperidin-4-yl]-1,3-oxazolidin-2-one (CID 46870814) is 3-[(3S,4S)-1-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-hydroxypiperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3S,4S)-1-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-hydroxypiperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3S,4S)-1-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-hydroxypiperidin-4-yl]-1,3-oxazolidin-2-one is CC(C)Cc1cc(C(F)(F)F)c2nc(C(=O)N3CC[C@H](N4CCOC4=O)[C@@H](O)C3)c(Cl)n2c1.
What is the InChIKey of 3-[(3S,4S)-1-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-hydroxypiperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is WKVUNXFOXVRIMZ-GJZGRUSLSA-N. The full InChI is InChI=1S/C21H24ClF3N4O4/c1-11(2)7-12-8-13(21(23,24)25)18-26-16(17(22)29(18)9-12)19(31)27-4-3-14(15(30)10-27)28-5-6-33-20(28)32/h8-9,11,14-15,30H,3-7,10H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of 3-[(3S,4S)-1-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-hydroxypiperidin-4-yl]-1,3-oxazolidin-2-one?
3-[(3S,4S)-1-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-hydroxypiperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 488.89 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4S)-1-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-hydroxypiperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 46870814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).