6-chloro-7-fluoro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylindole

C15H11ClF2N6O — CID 164549131

IUPAC6-chloro-7-fluoro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylindole
SMILESCOc1cc2c(-n3ccnc3)c(-c3n[nH]c(F)n3)n(C)c2c(F)c1Cl
InChIInChI=1S/C15H11ClF2N6O/c1-23-11-7(5-8(25-2)9(16)10(11)17)12(24-4-3-19-6-24)13(23)14-20-15(18)22-21-14/h3-6H,1-2H3,(H,20,21,22)
InChIKeyWIIWBKZPLKHYMX-UHFFFAOYSA-N
MW364.74 g/mol
LogP3.09
Rot. Bonds3

About 6-chloro-7-fluoro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylindole

6-chloro-7-fluoro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylindole (PubChem CID 164549131) has the molecular formula C15H11ClF2N6O and a molecular weight of 364.74 g/mol. Its IUPAC name is 6-chloro-7-fluoro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylindole.

Molecular Properties

Compound Name6-chloro-7-fluoro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylindole
PubChem CID164549131
Molecular FormulaC15H11ClF2N6O
Molecular Weight364.74 g/mol
Exact Mass364.07
IUPAC Name6-chloro-7-fluoro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylindole
SMILESCOc1cc2c(-n3ccnc3)c(-c3n[nH]c(F)n3)n(C)c2c(F)c1Cl
InChIInChI=1S/C15H11ClF2N6O/c1-23-11-7(5-8(25-2)9(16)10(11)17)12(24-4-3-19-6-24)13(23)14-20-15(18)22-21-14/h3-6H,1-2H3,(H,20,21,22)
InChIKeyWIIWBKZPLKHYMX-UHFFFAOYSA-N
XLogP3.09
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.74
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-7-fluoro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylindole with MolForge

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Related Compounds

US20240051954, Example 33
CID 164549019
US20240051954, Example 30
CID 164549035
US20240051954, Example 46
CID 164549074
US20240051954, Example 45
CID 164549081
US20240051954, Example 31
CID 164549110
US12404261, Example 83a
CID 164549112
US12404261, Example 73
CID 164549114
US12404261, Example 91
CID 164549115
US12404261, Example 82
CID 164549118
US12404261, Example 127
CID 164549120
US12404261, Example 63
CID 164549121
US12404261, Example 72
CID 164549122

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylindole?
The IUPAC name of 6-chloro-7-fluoro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylindole (CID 164549131) is 6-chloro-7-fluoro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylindole.
What is the SMILES notation for 6-chloro-7-fluoro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylindole?
The canonical SMILES for 6-chloro-7-fluoro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylindole is COc1cc2c(-n3ccnc3)c(-c3n[nH]c(F)n3)n(C)c2c(F)c1Cl.
What is the InChIKey of 6-chloro-7-fluoro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylindole?
The InChIKey is WIIWBKZPLKHYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N6O/c1-23-11-7(5-8(25-2)9(16)10(11)17)12(24-4-3-19-6-24)13(23)14-20-15(18)22-21-14/h3-6H,1-2H3,(H,20,21,22).
What are the key properties of 6-chloro-7-fluoro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylindole?
6-chloro-7-fluoro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylindole has a molecular weight of 364.74 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylindole is sourced from PubChem (CID 164549131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).