5-fluoro-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole

C21H23FN2S — CID 19848960

IUPAC5-fluoro-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole
SMILESFc1ccc2[nH]cc(CCCCC3CC(c4cccs4)=CCN3)c2c1
InChIInChI=1S/C21H23FN2S/c22-17-7-8-20-19(13-17)16(14-24-20)4-1-2-5-18-12-15(9-10-23-18)21-6-3-11-25-21/h3,6-9,11,13-14,18,23-24H,1-2,4-5,10,12H2
InChIKeyAKGMQQAPVSGVEI-UHFFFAOYSA-N
MW354.49 g/mol
LogP5.53
Rot. Bonds6

About 5-fluoro-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole

5-fluoro-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole (PubChem CID 19848960) has the molecular formula C21H23FN2S and a molecular weight of 354.49 g/mol. Its IUPAC name is 5-fluoro-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole
PubChem CID19848960
Molecular FormulaC21H23FN2S
Molecular Weight354.49 g/mol
Exact Mass354.16
IUPAC Name5-fluoro-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole
SMILESFc1ccc2[nH]cc(CCCCC3CC(c4cccs4)=CCN3)c2c1
InChIInChI=1S/C21H23FN2S/c22-17-7-8-20-19(13-17)16(14-24-20)4-1-2-5-18-12-15(9-10-23-18)21-6-3-11-25-21/h3,6-9,11,13-14,18,23-24H,1-2,4-5,10,12H2
InChIKeyAKGMQQAPVSGVEI-UHFFFAOYSA-N
XLogP5.53
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-fluoro-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole with MolForge

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Related Compounds

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6-Fluoro-3-((1E)-2-(3-pyridinyl)ethenyl)-1H-indole
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Indole, 3-(N-2-thiazolylformimidoyl)-
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N,N-Dimethyl-5-(methylthio)-1H-indole-3-ethanamine
CID 21180
Propyl-(6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl)-(2-thiophen-2-yl-ethyl)-amine
CID 10382523
5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 156850
5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11344959
3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329361
dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole?
The IUPAC name of 5-fluoro-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole (CID 19848960) is 5-fluoro-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole.
What is the SMILES notation for 5-fluoro-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole?
The canonical SMILES for 5-fluoro-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole is Fc1ccc2[nH]cc(CCCCC3CC(c4cccs4)=CCN3)c2c1.
What is the InChIKey of 5-fluoro-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole?
The InChIKey is AKGMQQAPVSGVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2S/c22-17-7-8-20-19(13-17)16(14-24-20)4-1-2-5-18-12-15(9-10-23-18)21-6-3-11-25-21/h3,6-9,11,13-14,18,23-24H,1-2,4-5,10,12H2.
What are the key properties of 5-fluoro-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole?
5-fluoro-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole has a molecular weight of 354.49 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole is sourced from PubChem (CID 19848960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).