(2S,5S,7S)-2-[[5-(1H-indol-6-yl)-3-pyridinyl]oxy]-1-azatricyclo[3.3.1.13,7]decane

C22H23N3O — CID 143702557

IUPAC(2S,5S,7S)-2-[[5-(1H-indol-6-yl)-3-pyridinyl]oxy]-1-azatricyclo[3.3.1.13,7]decane
SMILESc1cc2ccc(-c3cncc(O[C@H]4C5C[C@@H]6C[C@@H](C5)CN4C6)c3)cc2[nH]1
InChIInChI=1S/C22H23N3O/c1-2-17(9-21-16(1)3-4-24-21)19-8-20(11-23-10-19)26-22-18-6-14-5-15(7-18)13-25(22)12-14/h1-4,8-11,14-15,18,22,24H,5-7,12-13H2/t14-,15-,22-/m0/s1
InChIKeyWBHMMGXGWNFQKR-DFFLPILJSA-N
MW345.45 g/mol
LogP4.30
Rot. Bonds3

About (2S,5S,7S)-2-[[5-(1H-indol-6-yl)-3-pyridinyl]oxy]-1-azatricyclo[3.3.1.13,7]decane

(2S,5S,7S)-2-[[5-(1H-indol-6-yl)-3-pyridinyl]oxy]-1-azatricyclo[3.3.1.13,7]decane (PubChem CID 143702557) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is (2S,5S,7S)-2-[[5-(1H-indol-6-yl)-3-pyridinyl]oxy]-1-azatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name(2S,5S,7S)-2-[[5-(1H-indol-6-yl)-3-pyridinyl]oxy]-1-azatricyclo[3.3.1.13,7]decane
PubChem CID143702557
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name(2S,5S,7S)-2-[[5-(1H-indol-6-yl)-3-pyridinyl]oxy]-1-azatricyclo[3.3.1.13,7]decane
SMILESc1cc2ccc(-c3cncc(O[C@H]4C5C[C@@H]6C[C@@H](C5)CN4C6)c3)cc2[nH]1
InChIInChI=1S/C22H23N3O/c1-2-17(9-21-16(1)3-4-24-21)19-8-20(11-23-10-19)26-22-18-6-14-5-15(7-18)13-25(22)12-14/h1-4,8-11,14-15,18,22,24H,5-7,12-13H2/t14-,15-,22-/m0/s1
InChIKeyWBHMMGXGWNFQKR-DFFLPILJSA-N
XLogP4.30
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,5S,7S)-2-[[5-(1H-indol-6-yl)-3-pyridinyl]oxy]-1-azatricyclo[3.3.1.13,7]decane with MolForge

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Related Compounds

6-[5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole
CID 68915414
6-pyridin-4-yl-1H-indole
CID 46315865
6-[5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyrazin-2-yl]-1H-indole
CID 25068504
6-[5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-3-pyridinyl]-1H-indole;bis(2,2,2-trifluoroacetic acid)
CID 87621913
2-pyrimidin-2-yloxy-1-azatricyclo[3.3.1.13,7]decane;hydrochloride
CID 159194137
5-[5-[(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole
CID 68917956
5-[5-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-2-pyridinyl]-1H-indole
CID 50915100
N-[5-(1H-indol-6-yl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 77302145
(1S,5R)-N-[6-(1H-indol-6-yl)-3-pyridinyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 66787176
6-(1H-pyrrol-3-yl)-1H-indole
CID 67416274
6-(3,5-dimethylphenyl)-1H-indole
CID 169241911
3-(1H-indol-6-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]piperidine-1-carbaldehyde
CID 171774232

Frequently Asked Questions

What is the IUPAC name of (2S,5S,7S)-2-[[5-(1H-indol-6-yl)-3-pyridinyl]oxy]-1-azatricyclo[3.3.1.13,7]decane?
The IUPAC name of (2S,5S,7S)-2-[[5-(1H-indol-6-yl)-3-pyridinyl]oxy]-1-azatricyclo[3.3.1.13,7]decane (CID 143702557) is (2S,5S,7S)-2-[[5-(1H-indol-6-yl)-3-pyridinyl]oxy]-1-azatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for (2S,5S,7S)-2-[[5-(1H-indol-6-yl)-3-pyridinyl]oxy]-1-azatricyclo[3.3.1.13,7]decane?
The canonical SMILES for (2S,5S,7S)-2-[[5-(1H-indol-6-yl)-3-pyridinyl]oxy]-1-azatricyclo[3.3.1.13,7]decane is c1cc2ccc(-c3cncc(O[C@H]4C5C[C@@H]6C[C@@H](C5)CN4C6)c3)cc2[nH]1.
What is the InChIKey of (2S,5S,7S)-2-[[5-(1H-indol-6-yl)-3-pyridinyl]oxy]-1-azatricyclo[3.3.1.13,7]decane?
The InChIKey is WBHMMGXGWNFQKR-DFFLPILJSA-N. The full InChI is InChI=1S/C22H23N3O/c1-2-17(9-21-16(1)3-4-24-21)19-8-20(11-23-10-19)26-22-18-6-14-5-15(7-18)13-25(22)12-14/h1-4,8-11,14-15,18,22,24H,5-7,12-13H2/t14-,15-,22-/m0/s1.
What are the key properties of (2S,5S,7S)-2-[[5-(1H-indol-6-yl)-3-pyridinyl]oxy]-1-azatricyclo[3.3.1.13,7]decane?
(2S,5S,7S)-2-[[5-(1H-indol-6-yl)-3-pyridinyl]oxy]-1-azatricyclo[3.3.1.13,7]decane has a molecular weight of 345.45 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S,7S)-2-[[5-(1H-indol-6-yl)-3-pyridinyl]oxy]-1-azatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 143702557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).