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

C23H20ClFN2O — CID 11292359

IUPAC3-[1-[2-(5-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(C3=CCN(CCc4coc5ccc(Cl)cc45)CC3)c2c1
InChIInChI=1S/C23H20ClFN2O/c24-17-1-4-23-19(11-17)16(14-28-23)7-10-27-8-5-15(6-9-27)21-13-26-22-3-2-18(25)12-20(21)22/h1-5,11-14,26H,6-10H2
InChIKeyOURQZLZXAKRYDS-UHFFFAOYSA-N
MW394.88 g/mol
LogP6.04
Rot. Bonds4

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

3-[1-[2-(5-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole (PubChem CID 11292359) has the molecular formula C23H20ClFN2O and a molecular weight of 394.88 g/mol. Its IUPAC name is 3-[1-[2-(5-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole.

Molecular Properties

Compound Name3-[1-[2-(5-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole
PubChem CID11292359
Molecular FormulaC23H20ClFN2O
Molecular Weight394.88 g/mol
Exact Mass394.12
IUPAC Name3-[1-[2-(5-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(C3=CCN(CCc4coc5ccc(Cl)cc45)CC3)c2c1
InChIInChI=1S/C23H20ClFN2O/c24-17-1-4-23-19(11-17)16(14-28-23)7-10-27-8-5-15(6-9-27)21-13-26-22-3-2-18(25)12-20(21)22/h1-5,11-14,26H,6-10H2
InChIKeyOURQZLZXAKRYDS-UHFFFAOYSA-N
XLogP6.04
TPSA32.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.88
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(5-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole?
The IUPAC name of 3-[1-[2-(5-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole (CID 11292359) is 3-[1-[2-(5-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole.
What is the SMILES notation for 3-[1-[2-(5-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole?
The canonical SMILES for 3-[1-[2-(5-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole is Fc1ccc2[nH]cc(C3=CCN(CCc4coc5ccc(Cl)cc45)CC3)c2c1.
What is the InChIKey of 3-[1-[2-(5-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole?
The InChIKey is OURQZLZXAKRYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O/c24-17-1-4-23-19(11-17)16(14-28-23)7-10-27-8-5-15(6-9-27)21-13-26-22-3-2-18(25)12-20(21)22/h1-5,11-14,26H,6-10H2.
What are the key properties of 3-[1-[2-(5-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole?
3-[1-[2-(5-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole has a molecular weight of 394.88 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(5-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole is sourced from PubChem (CID 11292359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).