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

C22H22ClF3N4O3 — CID 59547274

IUPAC3-[1-[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(C3=CCCC3)cn2c1Cl)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C22H22ClF3N4O3/c23-18-17(20(31)28-7-5-15(6-8-28)29-9-10-33-21(29)32)27-19-16(22(24,25)26)11-14(12-30(18)19)13-3-1-2-4-13/h3,11-12,15H,1-2,4-10H2
InChIKeyJQBBVGSBYDEOLQ-UHFFFAOYSA-N
MW482.89 g/mol
LogP4.63
Rot. Bonds3

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

3-[1-[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 59547274) has the molecular formula C22H22ClF3N4O3 and a molecular weight of 482.89 g/mol. Its IUPAC name is 3-[1-[3-chloro-6-(cyclopenten-1-yl)-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-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID59547274
Molecular FormulaC22H22ClF3N4O3
Molecular Weight482.89 g/mol
Exact Mass482.13
IUPAC Name3-[1-[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(C3=CCCC3)cn2c1Cl)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C22H22ClF3N4O3/c23-18-17(20(31)28-7-5-15(6-8-28)29-9-10-33-21(29)32)27-19-16(22(24,25)26)11-14(12-30(18)19)13-3-1-2-4-13/h3,11-12,15H,1-2,4-10H2
InChIKeyJQBBVGSBYDEOLQ-UHFFFAOYSA-N
XLogP4.63
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.89
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-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-(cyclopenten-1-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-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 59547274) is 3-[1-[3-chloro-6-(cyclopenten-1-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-(cyclopenten-1-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-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C(c1nc2c(C(F)(F)F)cc(C3=CCCC3)cn2c1Cl)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of 3-[1-[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is JQBBVGSBYDEOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClF3N4O3/c23-18-17(20(31)28-7-5-15(6-8-28)29-9-10-33-21(29)32)27-19-16(22(24,25)26)11-14(12-30(18)19)13-3-1-2-4-13/h3,11-12,15H,1-2,4-10H2.
What are the key properties of 3-[1-[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 482.89 g/mol, XLogP of 4.63, 3 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-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59547274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).