5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole

C20H24N4O — CID 154090742

IUPAC5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole
SMILESCOc1ccc2n[nH]c(CCN3CCN(c4ccccc4)CC3)c2c1
InChIInChI=1S/C20H24N4O/c1-25-17-7-8-19-18(15-17)20(22-21-19)9-10-23-11-13-24(14-12-23)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,21,22)
InChIKeyGFGVKLSRTBESBS-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.94
Rot. Bonds5

About 5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole

5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole (PubChem CID 154090742) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole.

Molecular Properties

Compound Name5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole
PubChem CID154090742
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole
SMILESCOc1ccc2n[nH]c(CCN3CCN(c4ccccc4)CC3)c2c1
InChIInChI=1S/C20H24N4O/c1-25-17-7-8-19-18(15-17)20(22-21-19)9-10-23-11-13-24(14-12-23)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,21,22)
InChIKeyGFGVKLSRTBESBS-UHFFFAOYSA-N
XLogP2.94
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole
CID 14072498
5-methoxy-3-[[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methyl]-2H-indazole
CID 56895863
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
7-methoxy-1-[(4-phenylpiperazin-1-yl)methyl]naphthalen-2-ol
CID 2672003
6-methoxy-3-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole
CID 132543340
3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole
CID 56898962
2-(5-methoxy-2H-indazol-3-yl)acetamide
CID 76846209
1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 15527072
3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2H-indazole
CID 21481016
1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine
CID 171522133
ethyl 5-methoxy-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]-1H-indole-2-carboxylate
CID 3799403
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole?
The IUPAC name of 5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole (CID 154090742) is 5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole.
What is the SMILES notation for 5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole?
The canonical SMILES for 5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole is COc1ccc2n[nH]c(CCN3CCN(c4ccccc4)CC3)c2c1.
What is the InChIKey of 5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole?
The InChIKey is GFGVKLSRTBESBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-25-17-7-8-19-18(15-17)20(22-21-19)9-10-23-11-13-24(14-12-23)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,21,22).
What are the key properties of 5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole?
5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole has a molecular weight of 336.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole is sourced from PubChem (CID 154090742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).