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

C23H21FN2O — CID 11428376

IUPAC3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole
SMILESFc1ccc2c(C3=CCN(CCc4coc5ccccc45)CC3)c[nH]c2c1
InChIInChI=1S/C23H21FN2O/c24-18-5-6-20-21(14-25-22(20)13-18)16-7-10-26(11-8-16)12-9-17-15-27-23-4-2-1-3-19(17)23/h1-7,13-15,25H,8-12H2
InChIKeyWVNFUIRFEIEFKM-UHFFFAOYSA-N
MW360.43 g/mol
LogP5.39
Rot. Bonds4

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

3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole (PubChem CID 11428376) has the molecular formula C23H21FN2O and a molecular weight of 360.43 g/mol. Its IUPAC name is 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole.

Molecular Properties

Compound Name3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole
PubChem CID11428376
Molecular FormulaC23H21FN2O
Molecular Weight360.43 g/mol
Exact Mass360.16
IUPAC Name3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole
SMILESFc1ccc2c(C3=CCN(CCc4coc5ccccc45)CC3)c[nH]c2c1
InChIInChI=1S/C23H21FN2O/c24-18-5-6-20-21(14-25-22(20)13-18)16-7-10-26(11-8-16)12-9-17-15-27-23-4-2-1-3-19(17)23/h1-7,13-15,25H,8-12H2
InChIKeyWVNFUIRFEIEFKM-UHFFFAOYSA-N
XLogP5.39
TPSA32.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.43
LogP ≤ 55.39
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)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole?
The IUPAC name of 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole (CID 11428376) is 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole.
What is the SMILES notation for 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole?
The canonical SMILES for 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole is Fc1ccc2c(C3=CCN(CCc4coc5ccccc45)CC3)c[nH]c2c1.
What is the InChIKey of 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole?
The InChIKey is WVNFUIRFEIEFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O/c24-18-5-6-20-21(14-25-22(20)13-18)16-7-10-26(11-8-16)12-9-17-15-27-23-4-2-1-3-19(17)23/h1-7,13-15,25H,8-12H2.
What are the key properties of 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole?
3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole has a molecular weight of 360.43 g/mol, XLogP of 5.39, 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)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole is sourced from PubChem (CID 11428376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).