5-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

C24H23FN2O2 — CID 11452106

IUPAC5-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCOc1cccc2c(CCN3CC=C(c4c[nH]c5ccc(F)cc45)CC3)coc12
InChIInChI=1S/C24H23FN2O2/c1-28-23-4-2-3-19-17(15-29-24(19)23)9-12-27-10-7-16(8-11-27)21-14-26-22-6-5-18(25)13-20(21)22/h2-7,13-15,26H,8-12H2,1H3
InChIKeyQLIQKWIFPSHMDO-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.39
Rot. Bonds5

About 5-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

5-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 11452106) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 5-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID11452106
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name5-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCOc1cccc2c(CCN3CC=C(c4c[nH]c5ccc(F)cc45)CC3)coc12
InChIInChI=1S/C24H23FN2O2/c1-28-23-4-2-3-19-17(15-29-24(19)23)9-12-27-10-7-16(8-11-27)21-14-26-22-6-5-18(25)13-20(21)22/h2-7,13-15,26H,8-12H2,1H3
InChIKeyQLIQKWIFPSHMDO-UHFFFAOYSA-N
XLogP5.39
TPSA41.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 5-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 11452106) is 5-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 5-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 5-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is COc1cccc2c(CCN3CC=C(c4c[nH]c5ccc(F)cc45)CC3)coc12.
What is the InChIKey of 5-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is QLIQKWIFPSHMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-28-23-4-2-3-19-17(15-29-24(19)23)9-12-27-10-7-16(8-11-27)21-14-26-22-6-5-18(25)13-20(21)22/h2-7,13-15,26H,8-12H2,1H3.
What are the key properties of 5-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
5-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 390.46 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 11452106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).