2-[4-[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol

C15H12ClFN6O — CID 170427815

IUPAC2-[4-[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol
SMILESOCCn1cc(-n2cc(-c3cn[nH]c3)c3ccc(Cl)c(F)c32)nn1
InChIInChI=1S/C15H12ClFN6O/c16-12-2-1-10-11(9-5-18-19-6-9)7-23(15(10)14(12)17)13-8-22(3-4-24)21-20-13/h1-2,5-8,24H,3-4H2,(H,18,19)
InChIKeyQYCJXYQOJMNBER-UHFFFAOYSA-N
MW346.75 g/mol
LogP2.40
Rot. Bonds4

About 2-[4-[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol

2-[4-[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol (PubChem CID 170427815) has the molecular formula C15H12ClFN6O and a molecular weight of 346.75 g/mol. Its IUPAC name is 2-[4-[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol
PubChem CID170427815
Molecular FormulaC15H12ClFN6O
Molecular Weight346.75 g/mol
Exact Mass346.07
IUPAC Name2-[4-[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol
SMILESOCCn1cc(-n2cc(-c3cn[nH]c3)c3ccc(Cl)c(F)c32)nn1
InChIInChI=1S/C15H12ClFN6O/c16-12-2-1-10-11(9-5-18-19-6-9)7-23(15(10)14(12)17)13-8-22(3-4-24)21-20-13/h1-2,5-8,24H,3-4H2,(H,18,19)
InChIKeyQYCJXYQOJMNBER-UHFFFAOYSA-N
XLogP2.40
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol with MolForge

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Related Compounds

US20230391786, Example 172
CID 170795243
US20230391786, Example 173
CID 170795244
US20230391786, Example 218
CID 170795255
6-Chloro-3-(1H-pyrazol-4-yl)-1-(1H-triazol-4-yl)indole
CID 170426783
US20230391786, Example 34
CID 170427549
US20230391786, Example 138
CID 170795235
US20230391786, Example 140
CID 170795236
US20230391786, Example 200
CID 170795249
US20230391786, Example 201
CID 170795250
US20230391786, Example 227
CID 170795256
US20230391786, Example 228
CID 170795257
US20230391786, Example 229
CID 170795258

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol (CID 170427815) is 2-[4-[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol is OCCn1cc(-n2cc(-c3cn[nH]c3)c3ccc(Cl)c(F)c32)nn1.
What is the InChIKey of 2-[4-[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol?
The InChIKey is QYCJXYQOJMNBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN6O/c16-12-2-1-10-11(9-5-18-19-6-9)7-23(15(10)14(12)17)13-8-22(3-4-24)21-20-13/h1-2,5-8,24H,3-4H2,(H,18,19).
What are the key properties of 2-[4-[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol?
2-[4-[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol has a molecular weight of 346.75 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol is sourced from PubChem (CID 170427815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).