2-[4-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol

C16H15ClN6O2 — CID 170426902

IUPAC2-[4-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol
SMILESCOc1cc2c(-c3cn[nH]c3)cn(-c3cn(CCO)nn3)c2cc1Cl
InChIInChI=1S/C16H15ClN6O2/c1-25-15-4-11-12(10-6-18-19-7-10)8-23(14(11)5-13(15)17)16-9-22(2-3-24)21-20-16/h4-9,24H,2-3H2,1H3,(H,18,19)
InChIKeyMEWKJCFRNMIPDP-UHFFFAOYSA-N
MW358.79 g/mol
LogP2.27
Rot. Bonds5

About 2-[4-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol

2-[4-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol (PubChem CID 170426902) has the molecular formula C16H15ClN6O2 and a molecular weight of 358.79 g/mol. Its IUPAC name is 2-[4-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol
PubChem CID170426902
Molecular FormulaC16H15ClN6O2
Molecular Weight358.79 g/mol
Exact Mass358.09
IUPAC Name2-[4-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol
SMILESCOc1cc2c(-c3cn[nH]c3)cn(-c3cn(CCO)nn3)c2cc1Cl
InChIInChI=1S/C16H15ClN6O2/c1-25-15-4-11-12(10-6-18-19-7-10)8-23(14(11)5-13(15)17)16-9-22(2-3-24)21-20-16/h4-9,24H,2-3H2,1H3,(H,18,19)
InChIKeyMEWKJCFRNMIPDP-UHFFFAOYSA-N
XLogP2.27
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

US20230391786, Example 152
CID 170795239
US20230391786, Example 161
CID 170795241
US20230391786, Example 341
CID 170795271
US20230391786, Example 342
CID 170795272
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 60
CID 164549125

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol (CID 170426902) is 2-[4-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol is COc1cc2c(-c3cn[nH]c3)cn(-c3cn(CCO)nn3)c2cc1Cl.
What is the InChIKey of 2-[4-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol?
The InChIKey is MEWKJCFRNMIPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O2/c1-25-15-4-11-12(10-6-18-19-7-10)8-23(14(11)5-13(15)17)16-9-22(2-3-24)21-20-16/h4-9,24H,2-3H2,1H3,(H,18,19).
What are the key properties of 2-[4-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol?
2-[4-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol has a molecular weight of 358.79 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol is sourced from PubChem (CID 170426902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).