5-[6-[[(4S,5S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-3-pyridinyl]-1H-indole

C21H23N3O — CID 66921010

IUPAC5-[6-[[(4S,5S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-3-pyridinyl]-1H-indole
SMILESc1cc2cc(-c3ccc(O[C@H]4CCN5CCC[C@H]4C5)nc3)ccc2[nH]1
InChIInChI=1S/C21H23N3O/c1-2-18-14-24(10-1)11-8-20(18)25-21-6-4-17(13-23-21)15-3-5-19-16(12-15)7-9-22-19/h3-7,9,12-13,18,20,22H,1-2,8,10-11,14H2/t18-,20-/m0/s1
InChIKeyLFDMNNLPIWWHBW-ICSRJNTNSA-N
MW333.44 g/mol
LogP4.09
Rot. Bonds3

About 5-[6-[[(4S,5S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-3-pyridinyl]-1H-indole

5-[6-[[(4S,5S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-3-pyridinyl]-1H-indole (PubChem CID 66921010) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-[6-[[(4S,5S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-3-pyridinyl]-1H-indole.

Molecular Properties

Compound Name5-[6-[[(4S,5S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-3-pyridinyl]-1H-indole
PubChem CID66921010
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name5-[6-[[(4S,5S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-3-pyridinyl]-1H-indole
SMILESc1cc2cc(-c3ccc(O[C@H]4CCN5CCC[C@H]4C5)nc3)ccc2[nH]1
InChIInChI=1S/C21H23N3O/c1-2-18-14-24(10-1)11-8-20(18)25-21-6-4-17(13-23-21)15-3-5-19-16(12-15)7-9-22-19/h3-7,9,12-13,18,20,22H,1-2,8,10-11,14H2/t18-,20-/m0/s1
InChIKeyLFDMNNLPIWWHBW-ICSRJNTNSA-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-[6-[[(4S,5S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-3-pyridinyl]-1H-indole?
The IUPAC name of 5-[6-[[(4S,5S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-3-pyridinyl]-1H-indole (CID 66921010) is 5-[6-[[(4S,5S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-3-pyridinyl]-1H-indole.
What is the SMILES notation for 5-[6-[[(4S,5S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-3-pyridinyl]-1H-indole?
The canonical SMILES for 5-[6-[[(4S,5S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-3-pyridinyl]-1H-indole is c1cc2cc(-c3ccc(O[C@H]4CCN5CCC[C@H]4C5)nc3)ccc2[nH]1.
What is the InChIKey of 5-[6-[[(4S,5S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-3-pyridinyl]-1H-indole?
The InChIKey is LFDMNNLPIWWHBW-ICSRJNTNSA-N. The full InChI is InChI=1S/C21H23N3O/c1-2-18-14-24(10-1)11-8-20(18)25-21-6-4-17(13-23-21)15-3-5-19-16(12-15)7-9-22-19/h3-7,9,12-13,18,20,22H,1-2,8,10-11,14H2/t18-,20-/m0/s1.
What are the key properties of 5-[6-[[(4S,5S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-3-pyridinyl]-1H-indole?
5-[6-[[(4S,5S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-3-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-[6-[[(4S,5S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-3-pyridinyl]-1H-indole is sourced from PubChem (CID 66921010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).