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

C24H23FN2O2 — CID 11429231

IUPAC6-fluoro-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCOc1ccc2occ(CCN3CC=C(c4c[nH]c5cc(F)ccc45)CC3)c2c1
InChIInChI=1S/C24H23FN2O2/c1-28-19-3-5-24-21(13-19)17(15-29-24)8-11-27-9-6-16(7-10-27)22-14-26-23-12-18(25)2-4-20(22)23/h2-6,12-15,26H,7-11H2,1H3
InChIKeyQISVAQSXXNWNPZ-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.39
Rot. Bonds5

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

6-fluoro-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 11429231) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 6-fluoro-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID11429231
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name6-fluoro-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCOc1ccc2occ(CCN3CC=C(c4c[nH]c5cc(F)ccc45)CC3)c2c1
InChIInChI=1S/C24H23FN2O2/c1-28-19-3-5-24-21(13-19)17(15-29-24)8-11-27-9-6-16(7-10-27)22-14-26-23-12-18(25)2-4-20(22)23/h2-6,12-15,26H,7-11H2,1H3
InChIKeyQISVAQSXXNWNPZ-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 6-fluoro-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 6-fluoro-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 11429231) is 6-fluoro-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 6-fluoro-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 6-fluoro-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is COc1ccc2occ(CCN3CC=C(c4c[nH]c5cc(F)ccc45)CC3)c2c1.
What is the InChIKey of 6-fluoro-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is QISVAQSXXNWNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-28-19-3-5-24-21(13-19)17(15-29-24)8-11-27-9-6-16(7-10-27)22-14-26-23-12-18(25)2-4-20(22)23/h2-6,12-15,26H,7-11H2,1H3.
What are the key properties of 6-fluoro-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
6-fluoro-3-[1-[2-(5-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 6-fluoro-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 11429231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).