6-(6-fluoro-1H-indol-3-yl)-1-(2-piperazin-1-ylethyl)benzotriazole

C20H21FN6 — CID 164625965

IUPAC6-(6-fluoro-1H-indol-3-yl)-1-(2-piperazin-1-ylethyl)benzotriazole
SMILESFc1ccc2c(-c3ccc4nnn(CCN5CCNCC5)c4c3)c[nH]c2c1
InChIInChI=1S/C20H21FN6/c21-15-2-3-16-17(13-23-19(16)12-15)14-1-4-18-20(11-14)27(25-24-18)10-9-26-7-5-22-6-8-26/h1-4,11-13,22-23H,5-10H2
InChIKeyNWBMXBXPSXUWBK-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.62
Rot. Bonds4

About 6-(6-fluoro-1H-indol-3-yl)-1-(2-piperazin-1-ylethyl)benzotriazole

6-(6-fluoro-1H-indol-3-yl)-1-(2-piperazin-1-ylethyl)benzotriazole (PubChem CID 164625965) has the molecular formula C20H21FN6 and a molecular weight of 364.43 g/mol. Its IUPAC name is 6-(6-fluoro-1H-indol-3-yl)-1-(2-piperazin-1-ylethyl)benzotriazole.

Molecular Properties

Compound Name6-(6-fluoro-1H-indol-3-yl)-1-(2-piperazin-1-ylethyl)benzotriazole
PubChem CID164625965
Molecular FormulaC20H21FN6
Molecular Weight364.43 g/mol
Exact Mass364.18
IUPAC Name6-(6-fluoro-1H-indol-3-yl)-1-(2-piperazin-1-ylethyl)benzotriazole
SMILESFc1ccc2c(-c3ccc4nnn(CCN5CCNCC5)c4c3)c[nH]c2c1
InChIInChI=1S/C20H21FN6/c21-15-2-3-16-17(13-23-19(16)12-15)14-1-4-18-20(11-14)27(25-24-18)10-9-26-7-5-22-6-8-26/h1-4,11-13,22-23H,5-10H2
InChIKeyNWBMXBXPSXUWBK-UHFFFAOYSA-N
XLogP2.62
TPSA61.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-1H-indol-3-yl)-1-(2-piperazin-1-ylethyl)benzotriazole?
The IUPAC name of 6-(6-fluoro-1H-indol-3-yl)-1-(2-piperazin-1-ylethyl)benzotriazole (CID 164625965) is 6-(6-fluoro-1H-indol-3-yl)-1-(2-piperazin-1-ylethyl)benzotriazole.
What is the SMILES notation for 6-(6-fluoro-1H-indol-3-yl)-1-(2-piperazin-1-ylethyl)benzotriazole?
The canonical SMILES for 6-(6-fluoro-1H-indol-3-yl)-1-(2-piperazin-1-ylethyl)benzotriazole is Fc1ccc2c(-c3ccc4nnn(CCN5CCNCC5)c4c3)c[nH]c2c1.
What is the InChIKey of 6-(6-fluoro-1H-indol-3-yl)-1-(2-piperazin-1-ylethyl)benzotriazole?
The InChIKey is NWBMXBXPSXUWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6/c21-15-2-3-16-17(13-23-19(16)12-15)14-1-4-18-20(11-14)27(25-24-18)10-9-26-7-5-22-6-8-26/h1-4,11-13,22-23H,5-10H2.
What are the key properties of 6-(6-fluoro-1H-indol-3-yl)-1-(2-piperazin-1-ylethyl)benzotriazole?
6-(6-fluoro-1H-indol-3-yl)-1-(2-piperazin-1-ylethyl)benzotriazole has a molecular weight of 364.43 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-1H-indol-3-yl)-1-(2-piperazin-1-ylethyl)benzotriazole is sourced from PubChem (CID 164625965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).