3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile

C24H20FN3O — CID 11485956

IUPAC3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C3=CCN(CCc4coc5ccc(F)cc45)CC3)c2c1
InChIInChI=1S/C24H20FN3O/c25-19-2-4-24-20(12-19)18(15-29-24)7-10-28-8-5-17(6-9-28)22-14-27-23-3-1-16(13-26)11-21(22)23/h1-5,11-12,14-15,27H,6-10H2
InChIKeyLJLSARRTRNJITL-UHFFFAOYSA-N
MW385.44 g/mol
LogP5.26
Rot. Bonds4

About 3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile

3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile (PubChem CID 11485956) has the molecular formula C24H20FN3O and a molecular weight of 385.44 g/mol. Its IUPAC name is 3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile
PubChem CID11485956
Molecular FormulaC24H20FN3O
Molecular Weight385.44 g/mol
Exact Mass385.16
IUPAC Name3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C3=CCN(CCc4coc5ccc(F)cc45)CC3)c2c1
InChIInChI=1S/C24H20FN3O/c25-19-2-4-24-20(12-19)18(15-29-24)7-10-28-8-5-17(6-9-28)22-14-27-23-3-1-16(13-26)11-21(22)23/h1-5,11-12,14-15,27H,6-10H2
InChIKeyLJLSARRTRNJITL-UHFFFAOYSA-N
XLogP5.26
TPSA55.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.44
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 11164277
4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridine
CID 18184283
3-[1-[3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile
CID 10202848
3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile
CID 170277645
3-[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile
CID 10272384
3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile
CID 11333554
5-fluoro-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole;hydrochloride
CID 10475148
3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;hydrochloride
CID 154728760
3-[1-(3,4-dihydro-2H-chromen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole
CID 10270024
5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 3066252
5-[4-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butoxy]-2-methyl-1,3-benzothiazole
CID 10137867
3-[2-[4-[2-[(1-benzylpiperidin-4-yl)methyl]-1-oxo-2,3-dihydroinden-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 168948460

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile (CID 11485956) is 3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(C3=CCN(CCc4coc5ccc(F)cc45)CC3)c2c1.
What is the InChIKey of 3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile?
The InChIKey is LJLSARRTRNJITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O/c25-19-2-4-24-20(12-19)18(15-29-24)7-10-28-8-5-17(6-9-28)22-14-27-23-3-1-16(13-26)11-21(22)23/h1-5,11-12,14-15,27H,6-10H2.
What are the key properties of 3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile?
3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile has a molecular weight of 385.44 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 11485956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).