[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone

C23H24ClF3N4O2 — CID 162763688

IUPAC[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cn3cc(Cl)cc(-c4ccccc4OCC(F)(F)F)c3n2)CC1(C)C
InChIInChI=1S/C23H24ClF3N4O2/c1-22(2)13-30(9-8-29(22)3)21(32)18-12-31-11-15(24)10-17(20(31)28-18)16-6-4-5-7-19(16)33-14-23(25,26)27/h4-7,10-12H,8-9,13-14H2,1-3H3
InChIKeyJGSGLJGZEGLOAR-UHFFFAOYSA-N
MW480.92 g/mol
LogP4.76
Rot. Bonds4

About [6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone

[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone (PubChem CID 162763688) has the molecular formula C23H24ClF3N4O2 and a molecular weight of 480.92 g/mol. Its IUPAC name is [6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone
PubChem CID162763688
Molecular FormulaC23H24ClF3N4O2
Molecular Weight480.92 g/mol
Exact Mass480.15
IUPAC Name[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cn3cc(Cl)cc(-c4ccccc4OCC(F)(F)F)c3n2)CC1(C)C
InChIInChI=1S/C23H24ClF3N4O2/c1-22(2)13-30(9-8-29(22)3)21(32)18-12-31-11-15(24)10-17(20(31)28-18)16-6-4-5-7-19(16)33-14-23(25,26)27/h4-7,10-12H,8-9,13-14H2,1-3H3
InChIKeyJGSGLJGZEGLOAR-UHFFFAOYSA-N
XLogP4.76
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.92
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
The IUPAC name of [6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone (CID 162763688) is [6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for [6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cn3cc(Cl)cc(-c4ccccc4OCC(F)(F)F)c3n2)CC1(C)C.
What is the InChIKey of [6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
The InChIKey is JGSGLJGZEGLOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N4O2/c1-22(2)13-30(9-8-29(22)3)21(32)18-12-31-11-15(24)10-17(20(31)28-18)16-6-4-5-7-19(16)33-14-23(25,26)27/h4-7,10-12H,8-9,13-14H2,1-3H3.
What are the key properties of [6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone has a molecular weight of 480.92 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 162763688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).