3-ethyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole

C20H24N4 — CID 56683649

IUPAC3-ethyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole
SMILESCCc1nn(-c2ccccc2)c2cc(N3CCNC(C)C3)ccc12
InChIInChI=1S/C20H24N4/c1-3-19-18-10-9-17(23-12-11-21-15(2)14-23)13-20(18)24(22-19)16-7-5-4-6-8-16/h4-10,13,15,21H,3,11-12,14H2,1-2H3
InChIKeyNGWBKDMZOXFJRE-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.39
Rot. Bonds3

About 3-ethyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole

3-ethyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole (PubChem CID 56683649) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-ethyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole.

Molecular Properties

Compound Name3-ethyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole
PubChem CID56683649
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name3-ethyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole
SMILESCCc1nn(-c2ccccc2)c2cc(N3CCNC(C)C3)ccc12
InChIInChI=1S/C20H24N4/c1-3-19-18-10-9-17(23-12-11-21-15(2)14-23)13-20(18)24(22-19)16-7-5-4-6-8-16/h4-10,13,15,21H,3,11-12,14H2,1-2H3
InChIKeyNGWBKDMZOXFJRE-UHFFFAOYSA-N
XLogP3.39
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole?
The IUPAC name of 3-ethyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole (CID 56683649) is 3-ethyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole.
What is the SMILES notation for 3-ethyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole?
The canonical SMILES for 3-ethyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole is CCc1nn(-c2ccccc2)c2cc(N3CCNC(C)C3)ccc12.
What is the InChIKey of 3-ethyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole?
The InChIKey is NGWBKDMZOXFJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-3-19-18-10-9-17(23-12-11-21-15(2)14-23)13-20(18)24(22-19)16-7-5-4-6-8-16/h4-10,13,15,21H,3,11-12,14H2,1-2H3.
What are the key properties of 3-ethyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole?
3-ethyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole has a molecular weight of 320.44 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole is sourced from PubChem (CID 56683649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).