5,6-dichloro-1-methyl-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]indole

C15H9Cl2F3N6 — CID 164549138

IUPAC5,6-dichloro-1-methyl-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]indole
SMILESCn1c(-c2n[nH]c(C(F)(F)F)n2)c(-c2cn[nH]c2)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C15H9Cl2F3N6/c1-26-10-3-9(17)8(16)2-7(10)11(6-4-21-22-5-6)12(26)13-23-14(25-24-13)15(18,19)20/h2-5H,1H3,(H,21,22)(H,23,24,25)
InChIKeyJOTZZBKXQFPJGO-UHFFFAOYSA-N
MW401.18 g/mol
LogP4.68
Rot. Bonds2

About 5,6-dichloro-1-methyl-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]indole

5,6-dichloro-1-methyl-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]indole (PubChem CID 164549138) has the molecular formula C15H9Cl2F3N6 and a molecular weight of 401.18 g/mol. Its IUPAC name is 5,6-dichloro-1-methyl-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]indole.

Molecular Properties

Compound Name5,6-dichloro-1-methyl-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]indole
PubChem CID164549138
Molecular FormulaC15H9Cl2F3N6
Molecular Weight401.18 g/mol
Exact Mass400.02
IUPAC Name5,6-dichloro-1-methyl-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]indole
SMILESCn1c(-c2n[nH]c(C(F)(F)F)n2)c(-c2cn[nH]c2)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C15H9Cl2F3N6/c1-26-10-3-9(17)8(16)2-7(10)11(6-4-21-22-5-6)12(26)13-23-14(25-24-13)15(18,19)20/h2-5H,1H3,(H,21,22)(H,23,24,25)
InChIKeyJOTZZBKXQFPJGO-UHFFFAOYSA-N
XLogP4.68
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.18
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5,6-dichloro-1-methyl-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[5-[(3,4-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 168272821
3-[[5-[(3,4-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-6-fluoro-1H-indole
CID 168275406
3-[2-[5-[(3,4-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole
CID 56945132
3-[2-[5-[(3,4-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]ethyl]-1-methylindole
CID 142471737
3-[2-[4-[(3,4-dichlorophenyl)methyl]-5-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole
CID 155519582
3-[2-[3-[(3,4-dichlorophenyl)methyl]-5-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-4-yl]ethyl]-1H-indole
CID 155555535
US20230391786, Example 12
CID 170426549
6-Chloro-3-(1H-pyrazol-4-yl)-1-(1H-triazol-4-yl)indole
CID 170426783
US20230391786, Example 103
CID 170427222
US20230391786, Example 69
CID 170427291
US20230391786, Example 110
CID 170427441
US20230391786, Example 34
CID 170427549

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1-methyl-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]indole?
The IUPAC name of 5,6-dichloro-1-methyl-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]indole (CID 164549138) is 5,6-dichloro-1-methyl-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]indole.
What is the SMILES notation for 5,6-dichloro-1-methyl-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]indole?
The canonical SMILES for 5,6-dichloro-1-methyl-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]indole is Cn1c(-c2n[nH]c(C(F)(F)F)n2)c(-c2cn[nH]c2)c2cc(Cl)c(Cl)cc21.
What is the InChIKey of 5,6-dichloro-1-methyl-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]indole?
The InChIKey is JOTZZBKXQFPJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3N6/c1-26-10-3-9(17)8(16)2-7(10)11(6-4-21-22-5-6)12(26)13-23-14(25-24-13)15(18,19)20/h2-5H,1H3,(H,21,22)(H,23,24,25).
What are the key properties of 5,6-dichloro-1-methyl-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]indole?
5,6-dichloro-1-methyl-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]indole has a molecular weight of 401.18 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1-methyl-3-(1H-pyrazol-4-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]indole is sourced from PubChem (CID 164549138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).