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

C23H23FN2O3 — CID 10271949

IUPAC3-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole
SMILESFc1ccc2c(C3=CCN(CCOc4cccc5c4OCCO5)CC3)c[nH]c2c1
InChIInChI=1S/C23H23FN2O3/c24-17-4-5-18-19(15-25-20(18)14-17)16-6-8-26(9-7-16)10-11-27-21-2-1-3-22-23(21)29-13-12-28-22/h1-6,14-15,25H,7-13H2
InChIKeyMZVZZQMOBNGKQR-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.25
Rot. Bonds5

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

3-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole (PubChem CID 10271949) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is 3-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole.

Molecular Properties

Compound Name3-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole
PubChem CID10271949
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name3-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole
SMILESFc1ccc2c(C3=CCN(CCOc4cccc5c4OCCO5)CC3)c[nH]c2c1
InChIInChI=1S/C23H23FN2O3/c24-17-4-5-18-19(15-25-20(18)14-17)16-6-8-26(9-7-16)10-11-27-21-2-1-3-22-23(21)29-13-12-28-22/h1-6,14-15,25H,7-13H2
InChIKeyMZVZZQMOBNGKQR-UHFFFAOYSA-N
XLogP4.25
TPSA46.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole?
The IUPAC name of 3-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole (CID 10271949) is 3-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole.
What is the SMILES notation for 3-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole?
The canonical SMILES for 3-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole is Fc1ccc2c(C3=CCN(CCOc4cccc5c4OCCO5)CC3)c[nH]c2c1.
What is the InChIKey of 3-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole?
The InChIKey is MZVZZQMOBNGKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c24-17-4-5-18-19(15-25-20(18)14-17)16-6-8-26(9-7-16)10-11-27-21-2-1-3-22-23(21)29-13-12-28-22/h1-6,14-15,25H,7-13H2.
What are the key properties of 3-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole?
3-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole has a molecular weight of 394.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole is sourced from PubChem (CID 10271949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).