methyl 2-(4-piperazin-1-yl-1-bicyclo[2.2.2]octanyl)indazole-6-carboxylate;hydrochloride

C21H29ClN4O2 — CID 175973043

IUPACmethyl 2-(4-piperazin-1-yl-1-bicyclo[2.2.2]octanyl)indazole-6-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2cn(C34CCC(N5CCNCC5)(CC3)CC4)nc2c1.Cl
InChIInChI=1S/C21H28N4O2.ClH/c1-27-19(26)16-2-3-17-15-25(23-18(17)14-16)21-7-4-20(5-8-21,6-9-21)24-12-10-22-11-13-24;/h2-3,14-15,22H,4-13H2,1H3;1H
InChIKeyAZAPNWCFKVCNGU-UHFFFAOYSA-N
MW404.94 g/mol
LogP2.95
Rot. Bonds3

About methyl 2-(4-piperazin-1-yl-1-bicyclo[2.2.2]octanyl)indazole-6-carboxylate;hydrochloride

methyl 2-(4-piperazin-1-yl-1-bicyclo[2.2.2]octanyl)indazole-6-carboxylate;hydrochloride (PubChem CID 175973043) has the molecular formula C21H29ClN4O2 and a molecular weight of 404.94 g/mol. Its IUPAC name is methyl 2-(4-piperazin-1-yl-1-bicyclo[2.2.2]octanyl)indazole-6-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(4-piperazin-1-yl-1-bicyclo[2.2.2]octanyl)indazole-6-carboxylate;hydrochloride
PubChem CID175973043
Molecular FormulaC21H29ClN4O2
Molecular Weight404.94 g/mol
Exact Mass404.20
IUPAC Namemethyl 2-(4-piperazin-1-yl-1-bicyclo[2.2.2]octanyl)indazole-6-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2cn(C34CCC(N5CCNCC5)(CC3)CC4)nc2c1.Cl
InChIInChI=1S/C21H28N4O2.ClH/c1-27-19(26)16-2-3-17-15-25(23-18(17)14-16)21-7-4-20(5-8-21,6-9-21)24-12-10-22-11-13-24;/h2-3,14-15,22H,4-13H2,1H3;1H
InChIKeyAZAPNWCFKVCNGU-UHFFFAOYSA-N
XLogP2.95
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.94
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(4-piperazin-1-yl-1-bicyclo[2.2.2]octanyl)indazole-6-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(3-piperazin-1-yl-1-bicyclo[1.1.1]pentanyl)indazole-6-carboxylate
CID 175973005
methyl 2-[4-(4-benzylpiperazin-1-yl)-1-bicyclo[2.2.2]octanyl]indazole-6-carboxylate
CID 175973074
methyl 5-nitro-2-(3-piperazin-1-yl-1-bicyclo[1.1.1]pentanyl)indazole-6-carboxylate
CID 175973059
methyl 2-methoxyindazole-6-carboxylate
CID 141268418
methyl 2-cyclopentylindazole-6-carboxylate
CID 54059647
methyl 2-(oxan-4-yl)indazole-6-carboxylate
CID 137377490
methyl 2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)quinoline-6-carboxylate
CID 170940657
methyl 2-piperazin-1-ylpyrimidine-4-carboxylate
CID 131596703
methyl 2-[(3,5-dimethoxyphenyl)methyl]indazole-6-carboxylate
CID 169188076
methyl 2H-benzotriazole-5-carboxylate
CID 6409672
dimethyl isoquinoline-3,6-dicarboxylate
CID 155973058
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-piperazin-1-yl-1-bicyclo[2.2.2]octanyl)indazole-6-carboxylate;hydrochloride?
The IUPAC name of methyl 2-(4-piperazin-1-yl-1-bicyclo[2.2.2]octanyl)indazole-6-carboxylate;hydrochloride (CID 175973043) is methyl 2-(4-piperazin-1-yl-1-bicyclo[2.2.2]octanyl)indazole-6-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-(4-piperazin-1-yl-1-bicyclo[2.2.2]octanyl)indazole-6-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-(4-piperazin-1-yl-1-bicyclo[2.2.2]octanyl)indazole-6-carboxylate;hydrochloride is COC(=O)c1ccc2cn(C34CCC(N5CCNCC5)(CC3)CC4)nc2c1.Cl.
What is the InChIKey of methyl 2-(4-piperazin-1-yl-1-bicyclo[2.2.2]octanyl)indazole-6-carboxylate;hydrochloride?
The InChIKey is AZAPNWCFKVCNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2.ClH/c1-27-19(26)16-2-3-17-15-25(23-18(17)14-16)21-7-4-20(5-8-21,6-9-21)24-12-10-22-11-13-24;/h2-3,14-15,22H,4-13H2,1H3;1H.
What are the key properties of methyl 2-(4-piperazin-1-yl-1-bicyclo[2.2.2]octanyl)indazole-6-carboxylate;hydrochloride?
methyl 2-(4-piperazin-1-yl-1-bicyclo[2.2.2]octanyl)indazole-6-carboxylate;hydrochloride has a molecular weight of 404.94 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-piperazin-1-yl-1-bicyclo[2.2.2]octanyl)indazole-6-carboxylate;hydrochloride is sourced from PubChem (CID 175973043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).