4-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]cyclohexan-1-ol

C21H20Cl2F3N3O — CID 58103890

IUPAC4-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc(-c3ccn4c(CC(F)(F)F)cnc4c3Cl)cc2Cl)CC1
InChIInChI=1S/C21H20Cl2F3N3O/c22-17-9-12(1-6-18(17)28-13-2-4-15(30)5-3-13)16-7-8-29-14(10-21(24,25)26)11-27-20(29)19(16)23/h1,6-9,11,13,15,28,30H,2-5,10H2
InChIKeyDKNMAFSTNVCRBZ-UHFFFAOYSA-N
MW458.31 g/mol
LogP6.13
Rot. Bonds4

About 4-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]cyclohexan-1-ol

4-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]cyclohexan-1-ol (PubChem CID 58103890) has the molecular formula C21H20Cl2F3N3O and a molecular weight of 458.31 g/mol. Its IUPAC name is 4-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]cyclohexan-1-ol
PubChem CID58103890
Molecular FormulaC21H20Cl2F3N3O
Molecular Weight458.31 g/mol
Exact Mass457.09
IUPAC Name4-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc(-c3ccn4c(CC(F)(F)F)cnc4c3Cl)cc2Cl)CC1
InChIInChI=1S/C21H20Cl2F3N3O/c22-17-9-12(1-6-18(17)28-13-2-4-15(30)5-3-13)16-7-8-29-14(10-21(24,25)26)11-27-20(29)19(16)23/h1,6-9,11,13,15,28,30H,2-5,10H2
InChIKeyDKNMAFSTNVCRBZ-UHFFFAOYSA-N
XLogP6.13
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.31
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]cyclohexan-1-ol 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-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]cyclohexan-1-ol?
The IUPAC name of 4-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]cyclohexan-1-ol (CID 58103890) is 4-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]cyclohexan-1-ol?
The canonical SMILES for 4-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]cyclohexan-1-ol is OC1CCC(Nc2ccc(-c3ccn4c(CC(F)(F)F)cnc4c3Cl)cc2Cl)CC1.
What is the InChIKey of 4-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]cyclohexan-1-ol?
The InChIKey is DKNMAFSTNVCRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2F3N3O/c22-17-9-12(1-6-18(17)28-13-2-4-15(30)5-3-13)16-7-8-29-14(10-21(24,25)26)11-27-20(29)19(16)23/h1,6-9,11,13,15,28,30H,2-5,10H2.
What are the key properties of 4-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]cyclohexan-1-ol?
4-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]cyclohexan-1-ol has a molecular weight of 458.31 g/mol, XLogP of 6.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]cyclohexan-1-ol is sourced from PubChem (CID 58103890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).