3-ethyl-6-(4-ethylpiperazin-1-yl)-1-phenylindazole

C21H26N4 — CID 56673686

IUPAC3-ethyl-6-(4-ethylpiperazin-1-yl)-1-phenylindazole
SMILESCCc1nn(-c2ccccc2)c2cc(N3CCN(CC)CC3)ccc12
InChIInChI=1S/C21H26N4/c1-3-20-19-11-10-18(24-14-12-23(4-2)13-15-24)16-21(19)25(22-20)17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3
InChIKeyQQRBENGNGFOSIT-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.73
Rot. Bonds4

About 3-ethyl-6-(4-ethylpiperazin-1-yl)-1-phenylindazole

3-ethyl-6-(4-ethylpiperazin-1-yl)-1-phenylindazole (PubChem CID 56673686) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 3-ethyl-6-(4-ethylpiperazin-1-yl)-1-phenylindazole.

Molecular Properties

Compound Name3-ethyl-6-(4-ethylpiperazin-1-yl)-1-phenylindazole
PubChem CID56673686
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name3-ethyl-6-(4-ethylpiperazin-1-yl)-1-phenylindazole
SMILESCCc1nn(-c2ccccc2)c2cc(N3CCN(CC)CC3)ccc12
InChIInChI=1S/C21H26N4/c1-3-20-19-11-10-18(24-14-12-23(4-2)13-15-24)16-21(19)25(22-20)17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3
InChIKeyQQRBENGNGFOSIT-UHFFFAOYSA-N
XLogP3.73
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(4-ethylpiperazin-1-yl)-1-phenylindazole?
The IUPAC name of 3-ethyl-6-(4-ethylpiperazin-1-yl)-1-phenylindazole (CID 56673686) is 3-ethyl-6-(4-ethylpiperazin-1-yl)-1-phenylindazole.
What is the SMILES notation for 3-ethyl-6-(4-ethylpiperazin-1-yl)-1-phenylindazole?
The canonical SMILES for 3-ethyl-6-(4-ethylpiperazin-1-yl)-1-phenylindazole is CCc1nn(-c2ccccc2)c2cc(N3CCN(CC)CC3)ccc12.
What is the InChIKey of 3-ethyl-6-(4-ethylpiperazin-1-yl)-1-phenylindazole?
The InChIKey is QQRBENGNGFOSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-3-20-19-11-10-18(24-14-12-23(4-2)13-15-24)16-21(19)25(22-20)17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3.
What are the key properties of 3-ethyl-6-(4-ethylpiperazin-1-yl)-1-phenylindazole?
3-ethyl-6-(4-ethylpiperazin-1-yl)-1-phenylindazole has a molecular weight of 334.47 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(4-ethylpiperazin-1-yl)-1-phenylindazole is sourced from PubChem (CID 56673686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).