1-[3-[6-chloro-7-fluoro-5-methoxy-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]-1H-1,2,4-triazol-5-yl]ethanone

C17H14ClFN6O2 — CID 164549125

IUPAC1-[3-[6-chloro-7-fluoro-5-methoxy-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]-1H-1,2,4-triazol-5-yl]ethanone
SMILESCOc1cc2c(-c3cn[nH]c3)c(-c3n[nH]c(C(C)=O)n3)n(C)c2c(F)c1Cl
InChIInChI=1S/C17H14ClFN6O2/c1-7(26)16-22-17(24-23-16)15-11(8-5-20-21-6-8)9-4-10(27-3)12(18)13(19)14(9)25(15)2/h4-6H,1-3H3,(H,20,21)(H,22,23,24)
InChIKeyPGOXTGHNCAQMGY-UHFFFAOYSA-N
MW388.79 g/mol
LogP3.36
Rot. Bonds4

About 1-[3-[6-chloro-7-fluoro-5-methoxy-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]-1H-1,2,4-triazol-5-yl]ethanone

1-[3-[6-chloro-7-fluoro-5-methoxy-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]-1H-1,2,4-triazol-5-yl]ethanone (PubChem CID 164549125) has the molecular formula C17H14ClFN6O2 and a molecular weight of 388.79 g/mol. Its IUPAC name is 1-[3-[6-chloro-7-fluoro-5-methoxy-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]-1H-1,2,4-triazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[6-chloro-7-fluoro-5-methoxy-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]-1H-1,2,4-triazol-5-yl]ethanone
PubChem CID164549125
Molecular FormulaC17H14ClFN6O2
Molecular Weight388.79 g/mol
Exact Mass388.09
IUPAC Name1-[3-[6-chloro-7-fluoro-5-methoxy-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]-1H-1,2,4-triazol-5-yl]ethanone
SMILESCOc1cc2c(-c3cn[nH]c3)c(-c3n[nH]c(C(C)=O)n3)n(C)c2c(F)c1Cl
InChIInChI=1S/C17H14ClFN6O2/c1-7(26)16-22-17(24-23-16)15-11(8-5-20-21-6-8)9-4-10(27-3)12(18)13(19)14(9)25(15)2/h4-6H,1-3H3,(H,20,21)(H,22,23,24)
InChIKeyPGOXTGHNCAQMGY-UHFFFAOYSA-N
XLogP3.36
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.79
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-[6-chloro-7-fluoro-5-methoxy-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]-1H-1,2,4-triazol-5-yl]ethanone 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

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
US12404261, Example 85
CID 164549127
US12404261, Example 41
CID 164549128
US12404261, Example 86
CID 164549131
US12404261, Example 24
CID 164549133
US12404261, Example 75
CID 164549136

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-chloro-7-fluoro-5-methoxy-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]-1H-1,2,4-triazol-5-yl]ethanone?
The IUPAC name of 1-[3-[6-chloro-7-fluoro-5-methoxy-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]-1H-1,2,4-triazol-5-yl]ethanone (CID 164549125) is 1-[3-[6-chloro-7-fluoro-5-methoxy-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]-1H-1,2,4-triazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-[6-chloro-7-fluoro-5-methoxy-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]-1H-1,2,4-triazol-5-yl]ethanone?
The canonical SMILES for 1-[3-[6-chloro-7-fluoro-5-methoxy-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]-1H-1,2,4-triazol-5-yl]ethanone is COc1cc2c(-c3cn[nH]c3)c(-c3n[nH]c(C(C)=O)n3)n(C)c2c(F)c1Cl.
What is the InChIKey of 1-[3-[6-chloro-7-fluoro-5-methoxy-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]-1H-1,2,4-triazol-5-yl]ethanone?
The InChIKey is PGOXTGHNCAQMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN6O2/c1-7(26)16-22-17(24-23-16)15-11(8-5-20-21-6-8)9-4-10(27-3)12(18)13(19)14(9)25(15)2/h4-6H,1-3H3,(H,20,21)(H,22,23,24).
What are the key properties of 1-[3-[6-chloro-7-fluoro-5-methoxy-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]-1H-1,2,4-triazol-5-yl]ethanone?
1-[3-[6-chloro-7-fluoro-5-methoxy-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]-1H-1,2,4-triazol-5-yl]ethanone has a molecular weight of 388.79 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-chloro-7-fluoro-5-methoxy-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]-1H-1,2,4-triazol-5-yl]ethanone is sourced from PubChem (CID 164549125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).