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

C16H15ClN6O2 — CID 170427791

IUPAC2-[4-[6-chloro-4-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol
SMILESCOc1cc(Cl)cc2c1c(-c1cn[nH]c1)cn2-c1cn(CCO)nn1
InChIInChI=1S/C16H15ClN6O2/c1-25-14-5-11(17)4-13-16(14)12(10-6-18-19-7-10)8-23(13)15-9-22(2-3-24)21-20-15/h4-9,24H,2-3H2,1H3,(H,18,19)
InChIKeyAFEFNJYLWDGGGG-UHFFFAOYSA-N
MW358.79 g/mol
LogP2.27
Rot. Bonds5

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

2-[4-[6-chloro-4-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol (PubChem CID 170427791) has the molecular formula C16H15ClN6O2 and a molecular weight of 358.79 g/mol. Its IUPAC name is 2-[4-[6-chloro-4-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-chloro-4-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol
PubChem CID170427791
Molecular FormulaC16H15ClN6O2
Molecular Weight358.79 g/mol
Exact Mass358.09
IUPAC Name2-[4-[6-chloro-4-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol
SMILESCOc1cc(Cl)cc2c1c(-c1cn[nH]c1)cn2-c1cn(CCO)nn1
InChIInChI=1S/C16H15ClN6O2/c1-25-14-5-11(17)4-13-16(14)12(10-6-18-19-7-10)8-23(13)15-9-22(2-3-24)21-20-15/h4-9,24H,2-3H2,1H3,(H,18,19)
InChIKeyAFEFNJYLWDGGGG-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

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

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Related Compounds

US20230391786, Example 152
CID 170795239
US20230391786, Example 161
CID 170795241
US20230391786, Example 197
CID 170795246
US12404261, Example 25
CID 164549296
2-[6-chloro-2-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]ethanol;ethane
CID 164549312
2-[6-chloro-2-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]ethanol
CID 164549313
N-[5-chloro-1-(3-methoxypropyl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 90104012
N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 90104360
2-[4-[(9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]pyrazol-1-yl]ethanol
CID 90104483
2-[6,7-Dichloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-4-yl]oxyacetonitrile
CID 170426479
CID 170426902
CID 170426902
[6-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]pyridazin-3-yl]methanol
CID 170427699

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-chloro-4-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[6-chloro-4-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol (CID 170427791) is 2-[4-[6-chloro-4-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-chloro-4-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-chloro-4-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol is COc1cc(Cl)cc2c1c(-c1cn[nH]c1)cn2-c1cn(CCO)nn1.
What is the InChIKey of 2-[4-[6-chloro-4-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol?
The InChIKey is AFEFNJYLWDGGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O2/c1-25-14-5-11(17)4-13-16(14)12(10-6-18-19-7-10)8-23(13)15-9-22(2-3-24)21-20-15/h4-9,24H,2-3H2,1H3,(H,18,19).
What are the key properties of 2-[4-[6-chloro-4-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol?
2-[4-[6-chloro-4-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-4-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol is sourced from PubChem (CID 170427791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).