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

C24H23FN2O — CID 11749163

IUPAC3-[1-[2-(1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole
SMILESCC(CN1CC=C(c2c[nH]c3cc(F)ccc23)CC1)c1coc2ccccc12
InChIInChI=1S/C24H23FN2O/c1-16(22-15-28-24-5-3-2-4-20(22)24)14-27-10-8-17(9-11-27)21-13-26-23-12-18(25)6-7-19(21)23/h2-8,12-13,15-16,26H,9-11,14H2,1H3
InChIKeyIJCBJYCVFVNCLO-UHFFFAOYSA-N
MW374.46 g/mol
LogP5.95
Rot. Bonds4

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

3-[1-[2-(1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole (PubChem CID 11749163) has the molecular formula C24H23FN2O and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-[1-[2-(1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole.

Molecular Properties

Compound Name3-[1-[2-(1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole
PubChem CID11749163
Molecular FormulaC24H23FN2O
Molecular Weight374.46 g/mol
Exact Mass374.18
IUPAC Name3-[1-[2-(1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole
SMILESCC(CN1CC=C(c2c[nH]c3cc(F)ccc23)CC1)c1coc2ccccc12
InChIInChI=1S/C24H23FN2O/c1-16(22-15-28-24-5-3-2-4-20(22)24)14-27-10-8-17(9-11-27)21-13-26-23-12-18(25)6-7-19(21)23/h2-8,12-13,15-16,26H,9-11,14H2,1H3
InChIKeyIJCBJYCVFVNCLO-UHFFFAOYSA-N
XLogP5.95
TPSA32.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.46
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole?
The IUPAC name of 3-[1-[2-(1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole (CID 11749163) is 3-[1-[2-(1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole.
What is the SMILES notation for 3-[1-[2-(1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole?
The canonical SMILES for 3-[1-[2-(1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole is CC(CN1CC=C(c2c[nH]c3cc(F)ccc23)CC1)c1coc2ccccc12.
What is the InChIKey of 3-[1-[2-(1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole?
The InChIKey is IJCBJYCVFVNCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O/c1-16(22-15-28-24-5-3-2-4-20(22)24)14-27-10-8-17(9-11-27)21-13-26-23-12-18(25)6-7-19(21)23/h2-8,12-13,15-16,26H,9-11,14H2,1H3.
What are the key properties of 3-[1-[2-(1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole?
3-[1-[2-(1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole has a molecular weight of 374.46 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole is sourced from PubChem (CID 11749163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).