5-fluoro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole

C20H18F2N2 — CID 15006441

IUPAC5-fluoro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
SMILESCN1CC=C(c2cn(-c3ccc(F)cc3)c3ccc(F)cc23)CC1
InChIInChI=1S/C20H18F2N2/c1-23-10-8-14(9-11-23)19-13-24(17-5-2-15(21)3-6-17)20-7-4-16(22)12-18(19)20/h2-8,12-13H,9-11H2,1H3
InChIKeyZFOGIHQMXAYDAX-UHFFFAOYSA-N
MW324.37 g/mol
LogP4.63
Rot. Bonds2

About 5-fluoro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole

5-fluoro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole (PubChem CID 15006441) has the molecular formula C20H18F2N2 and a molecular weight of 324.37 g/mol. Its IUPAC name is 5-fluoro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole.

Molecular Properties

Compound Name5-fluoro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
PubChem CID15006441
Molecular FormulaC20H18F2N2
Molecular Weight324.37 g/mol
Exact Mass324.14
IUPAC Name5-fluoro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
SMILESCN1CC=C(c2cn(-c3ccc(F)cc3)c3ccc(F)cc23)CC1
InChIInChI=1S/C20H18F2N2/c1-23-10-8-14(9-11-23)19-13-24(17-5-2-15(21)3-6-17)20-7-4-16(22)12-18(19)20/h2-8,12-13H,9-11H2,1H3
InChIKeyZFOGIHQMXAYDAX-UHFFFAOYSA-N
XLogP4.63
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
3,3'-Diindolylmethane
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Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
Latrepirdine
CID 197033
Iprindole
CID 21722
N,N-Diethyltryptamine
CID 6090

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The IUPAC name of 5-fluoro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole (CID 15006441) is 5-fluoro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole.
What is the SMILES notation for 5-fluoro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The canonical SMILES for 5-fluoro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole is CN1CC=C(c2cn(-c3ccc(F)cc3)c3ccc(F)cc23)CC1.
What is the InChIKey of 5-fluoro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The InChIKey is ZFOGIHQMXAYDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2/c1-23-10-8-14(9-11-23)19-13-24(17-5-2-15(21)3-6-17)20-7-4-16(22)12-18(19)20/h2-8,12-13H,9-11H2,1H3.
What are the key properties of 5-fluoro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
5-fluoro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole has a molecular weight of 324.37 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole is sourced from PubChem (CID 15006441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).