1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine

C20H24FN5 — CID 111191536

IUPAC1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCc1ccccn1)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C20H24FN5/c1-2-22-20(25-12-9-17-5-3-4-10-23-17)24-11-8-15-14-26-19-13-16(21)6-7-18(15)19/h3-7,10,13-14,26H,2,8-9,11-12H2,1H3,(H2,22,24,25)
InChIKeyDDGFOPZLUBHERO-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.04
Rot. Bonds7

About 1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine

1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111191536) has the molecular formula C20H24FN5 and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
PubChem CID111191536
Molecular FormulaC20H24FN5
Molecular Weight353.45 g/mol
Exact Mass353.20
IUPAC Name1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCc1ccccn1)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C20H24FN5/c1-2-22-20(25-12-9-17-5-3-4-10-23-17)24-11-8-15-14-26-19-13-16(21)6-7-18(15)19/h3-7,10,13-14,26H,2,8-9,11-12H2,1H3,(H2,22,24,25)
InChIKeyDDGFOPZLUBHERO-UHFFFAOYSA-N
XLogP3.04
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.04
H-Bond Donors ≤ 53
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

1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110971241
1-[2-(2,4-difluorophenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 111782038
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 111782018
1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111888995
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111194200
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111888844
N-[2-[[N-ethyl-N'-[2-(6-fluoro-1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]benzamide
CID 111888073
1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182
1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(5-methoxypentyl)guanidine
CID 111888613
1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111888214
2-(4-ethoxybutyl)-1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 111888617
N-[2-[[N-ethyl-N'-[2-(6-fluoro-1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 111888987

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine (CID 111191536) is 1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine is CCN/C(=N\CCc1ccccn1)NCCc1c[nH]c2cc(F)ccc12.
What is the InChIKey of 1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is DDGFOPZLUBHERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5/c1-2-22-20(25-12-9-17-5-3-4-10-23-17)24-11-8-15-14-26-19-13-16(21)6-7-18(15)19/h3-7,10,13-14,26H,2,8-9,11-12H2,1H3,(H2,22,24,25).
What are the key properties of 1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine?
1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 353.45 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111191536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).