3-ethyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole;hydrochloride

C24H32ClN5 — CID 67448706

IUPAC3-ethyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole;hydrochloride
SMILESCCc1nn(-c2ccccc2)c2cc(N3CCC(N4CCNCC4)CC3)ccc12.Cl
InChIInChI=1S/C24H31N5.ClH/c1-2-23-22-9-8-21(18-24(22)29(26-23)20-6-4-3-5-7-20)27-14-10-19(11-15-27)28-16-12-25-13-17-28;/h3-9,18-19,25H,2,10-17H2,1H3;1H
InChIKeyLTLYIQOOXPECBL-UHFFFAOYSA-N
MW426.01 g/mol
LogP3.88
Rot. Bonds4

About 3-ethyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole;hydrochloride

3-ethyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole;hydrochloride (PubChem CID 67448706) has the molecular formula C24H32ClN5 and a molecular weight of 426.01 g/mol. Its IUPAC name is 3-ethyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole;hydrochloride.

Molecular Properties

Compound Name3-ethyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole;hydrochloride
PubChem CID67448706
Molecular FormulaC24H32ClN5
Molecular Weight426.01 g/mol
Exact Mass425.23
IUPAC Name3-ethyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole;hydrochloride
SMILESCCc1nn(-c2ccccc2)c2cc(N3CCC(N4CCNCC4)CC3)ccc12.Cl
InChIInChI=1S/C24H31N5.ClH/c1-2-23-22-9-8-21(18-24(22)29(26-23)20-6-4-3-5-7-20)27-14-10-19(11-15-27)28-16-12-25-13-17-28;/h3-9,18-19,25H,2,10-17H2,1H3;1H
InChIKeyLTLYIQOOXPECBL-UHFFFAOYSA-N
XLogP3.88
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.01
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-Benzylpiperidin-3-yl)-3-methyl-2H-indazol-5-amine
CID 44421899
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1-phenylindazole
CID 53379388
3-Ethyl-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole
CID 53379389
3-Methylsulfanyl-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole
CID 53494134
3-ethyl-1-phenyl-6-(piperazin-1-yl)-1H-indazole
CID 56670165
6-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)-3-methylsulfanyl-1-phenylindazole
CID 56673627
3-Methylsulfanyl-1-phenyl-6-piperazin-1-ylindazole
CID 56680271
3-Ethyl-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole
CID 56683648
3-Ethyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole
CID 56683649
1-[3-(5-methyl-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 127032716
1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 132570328
US11242343, Example 1
CID 134327695

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole;hydrochloride?
The IUPAC name of 3-ethyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole;hydrochloride (CID 67448706) is 3-ethyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole;hydrochloride.
What is the SMILES notation for 3-ethyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole;hydrochloride?
The canonical SMILES for 3-ethyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole;hydrochloride is CCc1nn(-c2ccccc2)c2cc(N3CCC(N4CCNCC4)CC3)ccc12.Cl.
What is the InChIKey of 3-ethyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole;hydrochloride?
The InChIKey is LTLYIQOOXPECBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5.ClH/c1-2-23-22-9-8-21(18-24(22)29(26-23)20-6-4-3-5-7-20)27-14-10-19(11-15-27)28-16-12-25-13-17-28;/h3-9,18-19,25H,2,10-17H2,1H3;1H.
What are the key properties of 3-ethyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole;hydrochloride?
3-ethyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole;hydrochloride has a molecular weight of 426.01 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole;hydrochloride is sourced from PubChem (CID 67448706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).