5-[1-(5-chloro-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1-(4-methylphenyl)indazole;ethane

C26H23ClF3N3 — CID 143372394

IUPAC5-[1-(5-chloro-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1-(4-methylphenyl)indazole;ethane
SMILESCC.Cc1ccc(-n2ncc3cc(C(c4c[nH]c5ccc(Cl)cc45)C(F)(F)F)ccc32)cc1
InChIInChI=1S/C24H17ClF3N3.C2H6/c1-14-2-6-18(7-3-14)31-22-9-4-15(10-16(22)12-30-31)23(24(26,27)28)20-13-29-21-8-5-17(25)11-19(20)21;1-2/h2-13,23,29H,1H3;1-2H3
InChIKeyLILWWMKVWSCCEB-UHFFFAOYSA-N
MW469.94 g/mol
LogP8.19
Rot. Bonds3

About 5-[1-(5-chloro-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1-(4-methylphenyl)indazole;ethane

5-[1-(5-chloro-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1-(4-methylphenyl)indazole;ethane (PubChem CID 143372394) has the molecular formula C26H23ClF3N3 and a molecular weight of 469.94 g/mol. Its IUPAC name is 5-[1-(5-chloro-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1-(4-methylphenyl)indazole;ethane.

Molecular Properties

Compound Name5-[1-(5-chloro-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1-(4-methylphenyl)indazole;ethane
PubChem CID143372394
Molecular FormulaC26H23ClF3N3
Molecular Weight469.94 g/mol
Exact Mass469.15
IUPAC Name5-[1-(5-chloro-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1-(4-methylphenyl)indazole;ethane
SMILESCC.Cc1ccc(-n2ncc3cc(C(c4c[nH]c5ccc(Cl)cc45)C(F)(F)F)ccc32)cc1
InChIInChI=1S/C24H17ClF3N3.C2H6/c1-14-2-6-18(7-3-14)31-22-9-4-15(10-16(22)12-30-31)23(24(26,27)28)20-13-29-21-8-5-17(25)11-19(20)21;1-2/h2-13,23,29H,1H3;1-2H3
InChIKeyLILWWMKVWSCCEB-UHFFFAOYSA-N
XLogP8.19
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.94
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[1-(5-chloro-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1-(4-methylphenyl)indazole;ethane with MolForge

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Related Compounds

7-Chloro-1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole
CID 829981
3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole
CID 5302583
1H-Indole, 3,3'-methylenebis[5-chloro-
CID 9901435
5-Chloro-3-[cis-4-[4-(1H-indol-4-yl)-1-piperazinyl]-cyclohexyl]-1H-indole
CID 10113692
5-chloro-3-[6-(5-chloro-1H-indol-3-yl)pyridazin-3-yl]-1H-indole
CID 134399462
US10100045, Example 16
CID 134450053
US10100045, Example 24
CID 134450187
US10100045, Example 20
CID 134450391
US10087185, Example 118
CID 134452620
7-(7-Chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-
CID 134452624
US10087185, Example 125
CID 134452629
US10087185, Example 63
CID 134457838

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-chloro-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1-(4-methylphenyl)indazole;ethane?
The IUPAC name of 5-[1-(5-chloro-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1-(4-methylphenyl)indazole;ethane (CID 143372394) is 5-[1-(5-chloro-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1-(4-methylphenyl)indazole;ethane.
What is the SMILES notation for 5-[1-(5-chloro-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1-(4-methylphenyl)indazole;ethane?
The canonical SMILES for 5-[1-(5-chloro-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1-(4-methylphenyl)indazole;ethane is CC.Cc1ccc(-n2ncc3cc(C(c4c[nH]c5ccc(Cl)cc45)C(F)(F)F)ccc32)cc1.
What is the InChIKey of 5-[1-(5-chloro-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1-(4-methylphenyl)indazole;ethane?
The InChIKey is LILWWMKVWSCCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N3.C2H6/c1-14-2-6-18(7-3-14)31-22-9-4-15(10-16(22)12-30-31)23(24(26,27)28)20-13-29-21-8-5-17(25)11-19(20)21;1-2/h2-13,23,29H,1H3;1-2H3.
What are the key properties of 5-[1-(5-chloro-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1-(4-methylphenyl)indazole;ethane?
5-[1-(5-chloro-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1-(4-methylphenyl)indazole;ethane has a molecular weight of 469.94 g/mol, XLogP of 8.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-chloro-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1-(4-methylphenyl)indazole;ethane is sourced from PubChem (CID 143372394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).