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

C23H20F2N2O — CID 11188108

IUPAC5-fluoro-3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESFc1ccc2[nH]cc(C3=CCN(CCc4coc5ccc(F)cc45)CC3)c2c1
InChIInChI=1S/C23H20F2N2O/c24-17-1-3-22-20(12-17)21(13-26-22)15-5-8-27(9-6-15)10-7-16-14-28-23-4-2-18(25)11-19(16)23/h1-5,11-14,26H,6-10H2
InChIKeyNPRLDPZUJGMBPW-UHFFFAOYSA-N
MW378.42 g/mol
LogP5.52
Rot. Bonds4

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

5-fluoro-3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 11188108) has the molecular formula C23H20F2N2O and a molecular weight of 378.42 g/mol. Its IUPAC name is 5-fluoro-3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID11188108
Molecular FormulaC23H20F2N2O
Molecular Weight378.42 g/mol
Exact Mass378.15
IUPAC Name5-fluoro-3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESFc1ccc2[nH]cc(C3=CCN(CCc4coc5ccc(F)cc45)CC3)c2c1
InChIInChI=1S/C23H20F2N2O/c24-17-1-3-22-20(12-17)21(13-26-22)15-5-8-27(9-6-15)10-7-16-14-28-23-4-2-18(25)11-19(16)23/h1-5,11-14,26H,6-10H2
InChIKeyNPRLDPZUJGMBPW-UHFFFAOYSA-N
XLogP5.52
TPSA32.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.42
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 5-fluoro-3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 11188108) is 5-fluoro-3-[1-[2-(5-fluoro-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-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 5-fluoro-3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is Fc1ccc2[nH]cc(C3=CCN(CCc4coc5ccc(F)cc45)CC3)c2c1.
What is the InChIKey of 5-fluoro-3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is NPRLDPZUJGMBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O/c24-17-1-3-22-20(12-17)21(13-26-22)15-5-8-27(9-6-15)10-7-16-14-28-23-4-2-18(25)11-19(16)23/h1-5,11-14,26H,6-10H2.
What are the key properties of 5-fluoro-3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
5-fluoro-3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 378.42 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 11188108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).