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

C44H44Cl4F6N6O2 — CID 160725308

IUPAC4-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(Nc2ccc(-c3ccn4c(CC(F)(F)F)cnc4c3Cl)cc2Cl)CC1.CC1(O)CCC(Nc2ccc(-c3ccn4c(CC(F)(F)F)cnc4c3Cl)cc2Cl)CC1
InChIInChI=1S/2C22H22Cl2F3N3O/c2*1-21(31)7-4-14(5-8-21)29-18-3-2-13(10-17(18)23)16-6-9-30-15(11-22(25,26)27)12-28-20(30)19(16)24/h2*2-3,6,9-10,12,14,29,31H,4-5,7-8,11H2,1H3
InChIKeyRTPZPXDRNMHBPB-UHFFFAOYSA-N
MW944.68 g/mol
LogP13.04
Rot. Bonds8

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

4-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]-1-methylcyclohexan-1-ol (PubChem CID 160725308) has the molecular formula C44H44Cl4F6N6O2 and a molecular weight of 944.68 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]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]-1-methylcyclohexan-1-ol
PubChem CID160725308
Molecular FormulaC44H44Cl4F6N6O2
Molecular Weight944.68 g/mol
Exact Mass942.22
IUPAC Name4-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(Nc2ccc(-c3ccn4c(CC(F)(F)F)cnc4c3Cl)cc2Cl)CC1.CC1(O)CCC(Nc2ccc(-c3ccn4c(CC(F)(F)F)cnc4c3Cl)cc2Cl)CC1
InChIInChI=1S/2C22H22Cl2F3N3O/c2*1-21(31)7-4-14(5-8-21)29-18-3-2-13(10-17(18)23)16-6-9-30-15(11-22(25,26)27)12-28-20(30)19(16)24/h2*2-3,6,9-10,12,14,29,31H,4-5,7-8,11H2,1H3
InChIKeyRTPZPXDRNMHBPB-UHFFFAOYSA-N
XLogP13.04
TPSA99.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.68
LogP ≤ 513.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]-1-methylcyclohexan-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]-1-methylcyclohexan-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]-1-methylcyclohexan-1-ol (CID 160725308) is 4-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]-1-methylcyclohexan-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]-1-methylcyclohexan-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]-1-methylcyclohexan-1-ol is CC1(O)CCC(Nc2ccc(-c3ccn4c(CC(F)(F)F)cnc4c3Cl)cc2Cl)CC1.CC1(O)CCC(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]-1-methylcyclohexan-1-ol?
The InChIKey is RTPZPXDRNMHBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H22Cl2F3N3O/c2*1-21(31)7-4-14(5-8-21)29-18-3-2-13(10-17(18)23)16-6-9-30-15(11-22(25,26)27)12-28-20(30)19(16)24/h2*2-3,6,9-10,12,14,29,31H,4-5,7-8,11H2,1H3.
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]-1-methylcyclohexan-1-ol?
4-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]-1-methylcyclohexan-1-ol has a molecular weight of 944.68 g/mol, XLogP of 13.04, 8 rotatable bonds, 4 hydrogen bond donors, and 8 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]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 160725308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).