5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(trifluoromethyl)-3H-indole;5-chloro-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-3H-indole;5,7-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole

C51H35Cl4F12N5O2 — CID 158976663

IUPAC5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(trifluoromethyl)-3H-indole;5-chloro-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-3H-indole;5,7-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole
SMILESCN1CCN(c2ccc(C3=Nc4c(cc(Cl)cc4C(F)(F)F)C3)cc2)CC1.FC(F)(F)Oc1ccc(C2=Nc3c(Cl)cc(Cl)cc3C2)cc1.FC(F)(F)Oc1ccc(C2=Nc3c(cc(Cl)cc3C(F)(F)F)C2)cc1
InChIInChI=1S/C20H19ClF3N3.C16H8ClF6NO.C15H8Cl2F3NO/c1-26-6-8-27(9-7-26)16-4-2-13(3-5-16)18-11-14-10-15(21)12-17(19(14)25-18)20(22,23)24;17-10-5-9-6-13(24-14(9)12(7-10)15(18,19)20)8-1-3-11(4-2-8)25-16(21,22)23;16-10-5-9-6-13(21-14(9)12(17)7-10)8-1-3-11(4-2-8)22-15(18,19)20/h2-5,10,12H,6-9,11H2,1H3;1-5,7H,6H2;1-5,7H,6H2
InChIKeyJOMBMTQJDXIJCV-UHFFFAOYSA-N
MW1119.66 g/mol
LogP16.29
Rot. Bonds6

About 5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(trifluoromethyl)-3H-indole;5-chloro-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-3H-indole;5,7-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole

5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(trifluoromethyl)-3H-indole;5-chloro-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-3H-indole;5,7-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole (PubChem CID 158976663) has the molecular formula C51H35Cl4F12N5O2 and a molecular weight of 1119.66 g/mol. Its IUPAC name is 5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(trifluoromethyl)-3H-indole;5-chloro-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-3H-indole;5,7-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole.

Molecular Properties

Compound Name5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(trifluoromethyl)-3H-indole;5-chloro-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-3H-indole;5,7-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole
PubChem CID158976663
Molecular FormulaC51H35Cl4F12N5O2
Molecular Weight1119.66 g/mol
Exact Mass1117.14
IUPAC Name5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(trifluoromethyl)-3H-indole;5-chloro-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-3H-indole;5,7-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole
SMILESCN1CCN(c2ccc(C3=Nc4c(cc(Cl)cc4C(F)(F)F)C3)cc2)CC1.FC(F)(F)Oc1ccc(C2=Nc3c(Cl)cc(Cl)cc3C2)cc1.FC(F)(F)Oc1ccc(C2=Nc3c(cc(Cl)cc3C(F)(F)F)C2)cc1
InChIInChI=1S/C20H19ClF3N3.C16H8ClF6NO.C15H8Cl2F3NO/c1-26-6-8-27(9-7-26)16-4-2-13(3-5-16)18-11-14-10-15(21)12-17(19(14)25-18)20(22,23)24;17-10-5-9-6-13(24-14(9)12(7-10)15(18,19)20)8-1-3-11(4-2-8)25-16(21,22)23;16-10-5-9-6-13(21-14(9)12(17)7-10)8-1-3-11(4-2-8)22-15(18,19)20/h2-5,10,12H,6-9,11H2,1H3;1-5,7H,6H2;1-5,7H,6H2
InChIKeyJOMBMTQJDXIJCV-UHFFFAOYSA-N
XLogP16.29
TPSA62.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001119.66
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(trifluoromethyl)-3H-indole;5-chloro-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-3H-indole;5,7-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole with MolForge

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Related Compounds

5,6-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole
CID 159546280
1-[4-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
CID 174765758
5,6-dichloro-2-[4-(4-ethylpiperazin-1-yl)phenyl]-3H-indole
CID 158550826
2-ethynyl-5-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethoxy)phenyl]benzimidazole
CID 171806486
4-piperidin-1-yl-2,6-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 11634401
1,2,5-trichloro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119016233
1-pentyl-4-[4-(trifluoromethoxy)phenyl]piperazine
CID 90698540
1-[3-chloro-5-(trifluoromethoxy)phenyl]piperidine
CID 175748238
1-[4-chloro-3-(trifluoromethyl)phenyl]aziridine
CID 134445527
4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine
CID 175691853
1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 86767631
2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(trifluoromethyl)-3H-indole;5-chloro-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-3H-indole;5,7-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole?
The IUPAC name of 5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(trifluoromethyl)-3H-indole;5-chloro-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-3H-indole;5,7-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole (CID 158976663) is 5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(trifluoromethyl)-3H-indole;5-chloro-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-3H-indole;5,7-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole.
What is the SMILES notation for 5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(trifluoromethyl)-3H-indole;5-chloro-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-3H-indole;5,7-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole?
The canonical SMILES for 5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(trifluoromethyl)-3H-indole;5-chloro-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-3H-indole;5,7-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole is CN1CCN(c2ccc(C3=Nc4c(cc(Cl)cc4C(F)(F)F)C3)cc2)CC1.FC(F)(F)Oc1ccc(C2=Nc3c(Cl)cc(Cl)cc3C2)cc1.FC(F)(F)Oc1ccc(C2=Nc3c(cc(Cl)cc3C(F)(F)F)C2)cc1.
What is the InChIKey of 5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(trifluoromethyl)-3H-indole;5-chloro-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-3H-indole;5,7-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole?
The InChIKey is JOMBMTQJDXIJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N3.C16H8ClF6NO.C15H8Cl2F3NO/c1-26-6-8-27(9-7-26)16-4-2-13(3-5-16)18-11-14-10-15(21)12-17(19(14)25-18)20(22,23)24;17-10-5-9-6-13(24-14(9)12(7-10)15(18,19)20)8-1-3-11(4-2-8)25-16(21,22)23;16-10-5-9-6-13(21-14(9)12(17)7-10)8-1-3-11(4-2-8)22-15(18,19)20/h2-5,10,12H,6-9,11H2,1H3;1-5,7H,6H2;1-5,7H,6H2.
What are the key properties of 5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(trifluoromethyl)-3H-indole;5-chloro-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-3H-indole;5,7-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole?
5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(trifluoromethyl)-3H-indole;5-chloro-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-3H-indole;5,7-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole has a molecular weight of 1119.66 g/mol, XLogP of 16.29, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(trifluoromethyl)-3H-indole;5-chloro-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-3H-indole;5,7-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole is sourced from PubChem (CID 158976663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).