4-[5-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]indol-1-yl]cyclohexan-1-ol

C23H21ClF3N3O — CID 46215704

IUPAC4-[5-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]indol-1-yl]cyclohexan-1-ol
SMILESOC1CCC(n2ccc3cc(-c4ccn5c(CC(F)(F)F)cnc5c4Cl)ccc32)CC1
InChIInChI=1S/C23H21ClF3N3O/c24-21-19(8-10-30-17(12-23(25,26)27)13-28-22(21)30)14-1-6-20-15(11-14)7-9-29(20)16-2-4-18(31)5-3-16/h1,6-11,13,16,18,31H,2-5,12H2
InChIKeyMTJBRWBGLFWUGE-UHFFFAOYSA-N
MW447.89 g/mol
LogP6.19
Rot. Bonds3

About 4-[5-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]indol-1-yl]cyclohexan-1-ol

4-[5-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]indol-1-yl]cyclohexan-1-ol (PubChem CID 46215704) has the molecular formula C23H21ClF3N3O and a molecular weight of 447.89 g/mol. Its IUPAC name is 4-[5-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]indol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[5-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]indol-1-yl]cyclohexan-1-ol
PubChem CID46215704
Molecular FormulaC23H21ClF3N3O
Molecular Weight447.89 g/mol
Exact Mass447.13
IUPAC Name4-[5-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]indol-1-yl]cyclohexan-1-ol
SMILESOC1CCC(n2ccc3cc(-c4ccn5c(CC(F)(F)F)cnc5c4Cl)ccc32)CC1
InChIInChI=1S/C23H21ClF3N3O/c24-21-19(8-10-30-17(12-23(25,26)27)13-28-22(21)30)14-1-6-20-15(11-14)7-9-29(20)16-2-4-18(31)5-3-16/h1,6-11,13,16,18,31H,2-5,12H2
InChIKeyMTJBRWBGLFWUGE-UHFFFAOYSA-N
XLogP6.19
TPSA42.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.89
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[5-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]indol-1-yl]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-[5-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]indol-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-[5-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]indol-1-yl]cyclohexan-1-ol (CID 46215704) is 4-[5-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]indol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[5-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]indol-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[5-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]indol-1-yl]cyclohexan-1-ol is OC1CCC(n2ccc3cc(-c4ccn5c(CC(F)(F)F)cnc5c4Cl)ccc32)CC1.
What is the InChIKey of 4-[5-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]indol-1-yl]cyclohexan-1-ol?
The InChIKey is MTJBRWBGLFWUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF3N3O/c24-21-19(8-10-30-17(12-23(25,26)27)13-28-22(21)30)14-1-6-20-15(11-14)7-9-29(20)16-2-4-18(31)5-3-16/h1,6-11,13,16,18,31H,2-5,12H2.
What are the key properties of 4-[5-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]indol-1-yl]cyclohexan-1-ol?
4-[5-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]indol-1-yl]cyclohexan-1-ol has a molecular weight of 447.89 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]indol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 46215704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).