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

C25H25FN2O2 — CID 11235095

IUPAC6-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCOc1cccc2c(C(C)CN3CC=C(c4c[nH]c5cc(F)ccc45)CC3)coc12
InChIInChI=1S/C25H25FN2O2/c1-16(22-15-30-25-20(22)4-3-5-24(25)29-2)14-28-10-8-17(9-11-28)21-13-27-23-12-18(26)6-7-19(21)23/h3-8,12-13,15-16,27H,9-11,14H2,1-2H3
InChIKeyRJJULGLATNVXBG-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.95
Rot. Bonds5

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

6-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 11235095) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 6-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID11235095
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC Name6-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCOc1cccc2c(C(C)CN3CC=C(c4c[nH]c5cc(F)ccc45)CC3)coc12
InChIInChI=1S/C25H25FN2O2/c1-16(22-15-30-25-20(22)4-3-5-24(25)29-2)14-28-10-8-17(9-11-28)21-13-27-23-12-18(26)6-7-19(21)23/h3-8,12-13,15-16,27H,9-11,14H2,1-2H3
InChIKeyRJJULGLATNVXBG-UHFFFAOYSA-N
XLogP5.95
TPSA41.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.95
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-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 6-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 11235095) is 6-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 6-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 6-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is COc1cccc2c(C(C)CN3CC=C(c4c[nH]c5cc(F)ccc45)CC3)coc12.
What is the InChIKey of 6-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is RJJULGLATNVXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2/c1-16(22-15-30-25-20(22)4-3-5-24(25)29-2)14-28-10-8-17(9-11-28)21-13-27-23-12-18(26)6-7-19(21)23/h3-8,12-13,15-16,27H,9-11,14H2,1-2H3.
What are the key properties of 6-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
6-fluoro-3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 404.49 g/mol, XLogP of 5.95, 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-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 11235095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).