5-[5-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-2-pyridinyl]-1H-indole

C21H23N3O — CID 50915100

IUPAC5-[5-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-2-pyridinyl]-1H-indole
SMILESCC1C(Oc2ccc(-c3ccc4[nH]ccc4c3)nc2)C2CCN1CC2
InChIInChI=1S/C21H23N3O/c1-14-21(15-7-10-24(14)11-8-15)25-18-3-5-20(23-13-18)16-2-4-19-17(12-16)6-9-22-19/h2-6,9,12-15,21-22H,7-8,10-11H2,1H3
InChIKeyZQXZZBNDHQVUEX-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.09
Rot. Bonds3

About 5-[5-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-2-pyridinyl]-1H-indole

5-[5-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-2-pyridinyl]-1H-indole (PubChem CID 50915100) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-[5-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-2-pyridinyl]-1H-indole.

Molecular Properties

Compound Name5-[5-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-2-pyridinyl]-1H-indole
PubChem CID50915100
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name5-[5-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-2-pyridinyl]-1H-indole
SMILESCC1C(Oc2ccc(-c3ccc4[nH]ccc4c3)nc2)C2CCN1CC2
InChIInChI=1S/C21H23N3O/c1-14-21(15-7-10-24(14)11-8-15)25-18-3-5-20(23-13-18)16-2-4-19-17(12-16)6-9-22-19/h2-6,9,12-15,21-22H,7-8,10-11H2,1H3
InChIKeyZQXZZBNDHQVUEX-UHFFFAOYSA-N
XLogP4.09
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-2-pyridinyl]-1H-indole?
The IUPAC name of 5-[5-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-2-pyridinyl]-1H-indole (CID 50915100) is 5-[5-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-2-pyridinyl]-1H-indole.
What is the SMILES notation for 5-[5-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-2-pyridinyl]-1H-indole?
The canonical SMILES for 5-[5-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-2-pyridinyl]-1H-indole is CC1C(Oc2ccc(-c3ccc4[nH]ccc4c3)nc2)C2CCN1CC2.
What is the InChIKey of 5-[5-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-2-pyridinyl]-1H-indole?
The InChIKey is ZQXZZBNDHQVUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14-21(15-7-10-24(14)11-8-15)25-18-3-5-20(23-13-18)16-2-4-19-17(12-16)6-9-22-19/h2-6,9,12-15,21-22H,7-8,10-11H2,1H3.
What are the key properties of 5-[5-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-2-pyridinyl]-1H-indole?
5-[5-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-2-pyridinyl]-1H-indole has a molecular weight of 333.44 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-2-pyridinyl]-1H-indole is sourced from PubChem (CID 50915100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).