4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohex-3-en-1-ylpiperazin-2-one

C22H22ClF3N4O2 — CID 51356170

IUPAC4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohex-3-en-1-ylpiperazin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(C3CC3)cn2c1Cl)N1CCN(C2CC=CCC2)C(=O)C1
InChIInChI=1S/C22H22ClF3N4O2/c23-19-18(21(32)28-8-9-29(17(31)12-28)15-4-2-1-3-5-15)27-20-16(22(24,25)26)10-14(11-30(19)20)13-6-7-13/h1-2,10-11,13,15H,3-9,12H2
InChIKeyDELBJORTGUSRIB-UHFFFAOYSA-N
MW466.89 g/mol
LogP4.28
Rot. Bonds3

About 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohex-3-en-1-ylpiperazin-2-one

4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohex-3-en-1-ylpiperazin-2-one (PubChem CID 51356170) has the molecular formula C22H22ClF3N4O2 and a molecular weight of 466.89 g/mol. Its IUPAC name is 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohex-3-en-1-ylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohex-3-en-1-ylpiperazin-2-one
PubChem CID51356170
Molecular FormulaC22H22ClF3N4O2
Molecular Weight466.89 g/mol
Exact Mass466.14
IUPAC Name4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohex-3-en-1-ylpiperazin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(C3CC3)cn2c1Cl)N1CCN(C2CC=CCC2)C(=O)C1
InChIInChI=1S/C22H22ClF3N4O2/c23-19-18(21(32)28-8-9-29(17(31)12-28)15-4-2-1-3-5-15)27-20-16(22(24,25)26)10-14(11-30(19)20)13-6-7-13/h1-2,10-11,13,15H,3-9,12H2
InChIKeyDELBJORTGUSRIB-UHFFFAOYSA-N
XLogP4.28
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.89
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohex-3-en-1-ylpiperazin-2-one?
The IUPAC name of 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohex-3-en-1-ylpiperazin-2-one (CID 51356170) is 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohex-3-en-1-ylpiperazin-2-one.
What is the SMILES notation for 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohex-3-en-1-ylpiperazin-2-one?
The canonical SMILES for 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohex-3-en-1-ylpiperazin-2-one is O=C(c1nc2c(C(F)(F)F)cc(C3CC3)cn2c1Cl)N1CCN(C2CC=CCC2)C(=O)C1.
What is the InChIKey of 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohex-3-en-1-ylpiperazin-2-one?
The InChIKey is DELBJORTGUSRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClF3N4O2/c23-19-18(21(32)28-8-9-29(17(31)12-28)15-4-2-1-3-5-15)27-20-16(22(24,25)26)10-14(11-30(19)20)13-6-7-13/h1-2,10-11,13,15H,3-9,12H2.
What are the key properties of 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohex-3-en-1-ylpiperazin-2-one?
4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohex-3-en-1-ylpiperazin-2-one has a molecular weight of 466.89 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohex-3-en-1-ylpiperazin-2-one is sourced from PubChem (CID 51356170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).