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

C22H22ClF3N6O2 — CID 67085111

IUPAC4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(-n3ccnc3)cn2c1Cl)N1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C22H22ClF3N6O2/c23-19-18(21(34)29-8-9-31(17(33)12-29)14-4-2-1-3-5-14)28-20-16(22(24,25)26)10-15(11-32(19)20)30-7-6-27-13-30/h6-7,10-11,13-14H,1-5,8-9,12H2
InChIKeyNODBAORIXWDDLW-UHFFFAOYSA-N
MW494.91 g/mol
LogP3.81
Rot. Bonds3

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

4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one (PubChem CID 67085111) has the molecular formula C22H22ClF3N6O2 and a molecular weight of 494.91 g/mol. Its IUPAC name is 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one
PubChem CID67085111
Molecular FormulaC22H22ClF3N6O2
Molecular Weight494.91 g/mol
Exact Mass494.14
IUPAC Name4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(-n3ccnc3)cn2c1Cl)N1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C22H22ClF3N6O2/c23-19-18(21(34)29-8-9-31(17(33)12-29)14-4-2-1-3-5-14)28-20-16(22(24,25)26)10-15(11-32(19)20)30-7-6-27-13-30/h6-7,10-11,13-14H,1-5,8-9,12H2
InChIKeyNODBAORIXWDDLW-UHFFFAOYSA-N
XLogP3.81
TPSA75.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.91
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one?
The IUPAC name of 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one (CID 67085111) is 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one.
What is the SMILES notation for 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one?
The canonical SMILES for 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one is O=C(c1nc2c(C(F)(F)F)cc(-n3ccnc3)cn2c1Cl)N1CCN(C2CCCCC2)C(=O)C1.
What is the InChIKey of 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one?
The InChIKey is NODBAORIXWDDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClF3N6O2/c23-19-18(21(34)29-8-9-31(17(33)12-29)14-4-2-1-3-5-14)28-20-16(22(24,25)26)10-15(11-32(19)20)30-7-6-27-13-30/h6-7,10-11,13-14H,1-5,8-9,12H2.
What are the key properties of 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one?
4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one has a molecular weight of 494.91 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one is sourced from PubChem (CID 67085111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).