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

C23H22ClF3N4O3 — CID 51357006

IUPAC4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C23H22ClF3N4O3/c24-20-19(22(33)29-7-8-30(18(32)12-29)16-4-2-1-3-5-16)28-21-17(23(25,26)27)10-15(11-31(20)21)14-6-9-34-13-14/h6,9-11,13,16H,1-5,7-8,12H2
InChIKeyURRREFWIXBEBMH-UHFFFAOYSA-N
MW494.90 g/mol
LogP4.88
Rot. Bonds3

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

4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one (PubChem CID 51357006) has the molecular formula C23H22ClF3N4O3 and a molecular weight of 494.90 g/mol. Its IUPAC name is 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one
PubChem CID51357006
Molecular FormulaC23H22ClF3N4O3
Molecular Weight494.90 g/mol
Exact Mass494.13
IUPAC Name4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C23H22ClF3N4O3/c24-20-19(22(33)29-7-8-30(18(32)12-29)16-4-2-1-3-5-16)28-21-17(23(25,26)27)10-15(11-31(20)21)14-6-9-34-13-14/h6,9-11,13,16H,1-5,7-8,12H2
InChIKeyURRREFWIXBEBMH-UHFFFAOYSA-N
XLogP4.88
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.90
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one?
The IUPAC name of 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one (CID 51357006) is 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one.
What is the SMILES notation for 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one?
The canonical SMILES for 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one is O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCN(C2CCCCC2)C(=O)C1.
What is the InChIKey of 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one?
The InChIKey is URRREFWIXBEBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N4O3/c24-20-19(22(33)29-7-8-30(18(32)12-29)16-4-2-1-3-5-16)28-21-17(23(25,26)27)10-15(11-31(20)21)14-6-9-34-13-14/h6,9-11,13,16H,1-5,7-8,12H2.
What are the key properties of 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one?
4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one has a molecular weight of 494.90 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one is sourced from PubChem (CID 51357006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).