1-[2-(1H-indazol-6-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine

C21H24N6 — CID 154872497

IUPAC1-[2-(1H-indazol-6-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
SMILESC/N=C(\NCCc1ccc2cn[nH]c2c1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H24N6/c1-22-21(23-10-8-15-6-7-17-14-26-27-20(17)12-15)24-11-9-16-13-25-19-5-3-2-4-18(16)19/h2-7,12-14,25H,8-11H2,1H3,(H,26,27)(H2,22,23,24)
InChIKeyKNAIESAXVJHFNK-UHFFFAOYSA-N
MW360.47 g/mol
LogP2.99
Rot. Bonds6

About 1-[2-(1H-indazol-6-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine

1-[2-(1H-indazol-6-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine (PubChem CID 154872497) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 1-[2-(1H-indazol-6-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(1H-indazol-6-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
PubChem CID154872497
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name1-[2-(1H-indazol-6-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
SMILESC/N=C(\NCCc1ccc2cn[nH]c2c1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H24N6/c1-22-21(23-10-8-15-6-7-17-14-26-27-20(17)12-15)24-11-9-16-13-25-19-5-3-2-4-18(16)19/h2-7,12-14,25H,8-11H2,1H3,(H,26,27)(H2,22,23,24)
InChIKeyKNAIESAXVJHFNK-UHFFFAOYSA-N
XLogP2.99
TPSA80.89 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[[[N-[2-(1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 110996403
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine
CID 110996065
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111787771
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111584562
1-[2-(1H-indol-3-yl)ethyl]-3-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 110995399
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[(4-nitrophenyl)methyl]guanidine
CID 110996501
4-[[[N-[2-(1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N-methylbenzamide
CID 110995215
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111584561
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 110997300
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 75535407
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 110996583
4-[[[N-[2-(1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 110997312

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indazol-6-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine?
The IUPAC name of 1-[2-(1H-indazol-6-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine (CID 154872497) is 1-[2-(1H-indazol-6-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-(1H-indazol-6-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-[2-(1H-indazol-6-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine is C/N=C(\NCCc1ccc2cn[nH]c2c1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(1H-indazol-6-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine?
The InChIKey is KNAIESAXVJHFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-22-21(23-10-8-15-6-7-17-14-26-27-20(17)12-15)24-11-9-16-13-25-19-5-3-2-4-18(16)19/h2-7,12-14,25H,8-11H2,1H3,(H,26,27)(H2,22,23,24).
What are the key properties of 1-[2-(1H-indazol-6-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine?
1-[2-(1H-indazol-6-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine has a molecular weight of 360.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indazol-6-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine is sourced from PubChem (CID 154872497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).