1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide

C20H29IN6 — CID 111341128

IUPAC1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCCn1ccc2ccccc21)NCCc1cnn(C)c1.I
InChIInChI=1S/C20H28N6.HI/c1-3-21-20(23-12-9-17-15-24-25(2)16-17)22-11-6-13-26-14-10-18-7-4-5-8-19(18)26;/h4-5,7-8,10,14-16H,3,6,9,11-13H2,1-2H3,(H2,21,22,23);1H
InChIKeyFDTPVLXFFGNWNC-UHFFFAOYSA-N
MW480.40 g/mol
LogP3.18
Rot. Bonds8

About 1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide

1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide (PubChem CID 111341128) has the molecular formula C20H29IN6 and a molecular weight of 480.40 g/mol. Its IUPAC name is 1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
PubChem CID111341128
Molecular FormulaC20H29IN6
Molecular Weight480.40 g/mol
Exact Mass480.15
IUPAC Name1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCCn1ccc2ccccc21)NCCc1cnn(C)c1.I
InChIInChI=1S/C20H28N6.HI/c1-3-21-20(23-12-9-17-15-24-25(2)16-17)22-11-6-13-26-14-10-18-7-4-5-8-19(18)26;/h4-5,7-8,10,14-16H,3,6,9,11-13H2,1-2H3,(H2,21,22,23);1H
InChIKeyFDTPVLXFFGNWNC-UHFFFAOYSA-N
XLogP3.18
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-[[N-ethyl-N'-(3-indol-1-ylpropyl)carbamimidoyl]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111341582
1,3-diethyl-2-[3-(1-methylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 86777200
1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111627689
1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-(3-indol-1-ylpropyl)guanidine;hydroiodide
CID 111341378
1-ethyl-2-[3-(N-ethylanilino)propyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 111389865
1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 111341258
1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-(3-indol-1-ylpropyl)guanidine
CID 111341379
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-indol-1-ylpropyl)guanidine;hydroiodide
CID 111830782
1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111349001
1-ethyl-2-(3-indol-1-ylpropyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111341061
2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 111608816
1-ethyl-3-(3-indol-1-ylpropyl)-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111341630

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide (CID 111341128) is 1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide is CCN/C(=N\CCCn1ccc2ccccc21)NCCc1cnn(C)c1.I.
What is the InChIKey of 1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
The InChIKey is FDTPVLXFFGNWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6.HI/c1-3-21-20(23-12-9-17-15-24-25(2)16-17)22-11-6-13-26-14-10-18-7-4-5-8-19(18)26;/h4-5,7-8,10,14-16H,3,6,9,11-13H2,1-2H3,(H2,21,22,23);1H.
What are the key properties of 1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide has a molecular weight of 480.40 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111341128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).