6-chloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile

C15H7ClF3N7 — CID 164549204

IUPAC6-chloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile
SMILESN#Cc1c(Cl)ccc2c(-n3ccnc3)c(-c3n[nH]c(C(F)(F)F)n3)[nH]c12
InChIInChI=1S/C15H7ClF3N7/c16-9-2-1-7-10(8(9)5-20)22-11(12(7)26-4-3-21-6-26)13-23-14(25-24-13)15(17,18)19/h1-4,6,22H,(H,23,24,25)
InChIKeyWYDAXJKDRYYCHX-UHFFFAOYSA-N
MW377.72 g/mol
LogP3.68
Rot. Bonds2

About 6-chloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile

6-chloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile (PubChem CID 164549204) has the molecular formula C15H7ClF3N7 and a molecular weight of 377.72 g/mol. Its IUPAC name is 6-chloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile.

Molecular Properties

Compound Name6-chloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile
PubChem CID164549204
Molecular FormulaC15H7ClF3N7
Molecular Weight377.72 g/mol
Exact Mass377.04
IUPAC Name6-chloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile
SMILESN#Cc1c(Cl)ccc2c(-n3ccnc3)c(-c3n[nH]c(C(F)(F)F)n3)[nH]c12
InChIInChI=1S/C15H7ClF3N7/c16-9-2-1-7-10(8(9)5-20)22-11(12(7)26-4-3-21-6-26)13-23-14(25-24-13)15(17,18)19/h1-4,6,22H,(H,23,24,25)
InChIKeyWYDAXJKDRYYCHX-UHFFFAOYSA-N
XLogP3.68
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.72
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[5-[(4-chlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole
CID 142471682
3-[2-[5-[(2-chlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole
CID 142471846
3-[[5-[(4-chlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 142471891
3-[[5-[(2-chlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 168296234
6-Chloro-3-(1H-pyrazol-4-yl)-1-(1H-triazol-4-yl)indole
CID 170426783
US12404261, Example 6
CID 164549129
US12404261, Example 16
CID 164549132
US12404261, Example 108
CID 164549139
US12404261, Example 32
CID 164549141
US12404261, Example 8
CID 164549184
US12404261, Example 106
CID 164549219
US12404261, Example 109
CID 164549295

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile?
The IUPAC name of 6-chloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile (CID 164549204) is 6-chloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile.
What is the SMILES notation for 6-chloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile?
The canonical SMILES for 6-chloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile is N#Cc1c(Cl)ccc2c(-n3ccnc3)c(-c3n[nH]c(C(F)(F)F)n3)[nH]c12.
What is the InChIKey of 6-chloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile?
The InChIKey is WYDAXJKDRYYCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF3N7/c16-9-2-1-7-10(8(9)5-20)22-11(12(7)26-4-3-21-6-26)13-23-14(25-24-13)15(17,18)19/h1-4,6,22H,(H,23,24,25).
What are the key properties of 6-chloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile?
6-chloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile has a molecular weight of 377.72 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carbonitrile is sourced from PubChem (CID 164549204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).