[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrazin-2-ylphenyl)methanone

C23H22N4O2 — CID 126745492

IUPAC[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrazin-2-ylphenyl)methanone
SMILESCc1ccc(OC2CC3CC2N(C(=O)c2ccccc2-c2cnccn2)C3)nc1
InChIInChI=1S/C23H22N4O2/c1-15-6-7-22(26-12-15)29-21-11-16-10-20(21)27(14-16)23(28)18-5-3-2-4-17(18)19-13-24-8-9-25-19/h2-9,12-13,16,20-21H,10-11,14H2,1H3
InChIKeyOTHACVDYDNOPHU-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.53
Rot. Bonds4

About [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrazin-2-ylphenyl)methanone

[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrazin-2-ylphenyl)methanone (PubChem CID 126745492) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrazin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrazin-2-ylphenyl)methanone
PubChem CID126745492
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrazin-2-ylphenyl)methanone
SMILESCc1ccc(OC2CC3CC2N(C(=O)c2ccccc2-c2cnccn2)C3)nc1
InChIInChI=1S/C23H22N4O2/c1-15-6-7-22(26-12-15)29-21-11-16-10-20(21)27(14-16)23(28)18-5-3-2-4-17(18)19-13-24-8-9-25-19/h2-9,12-13,16,20-21H,10-11,14H2,1H3
InChIKeyOTHACVDYDNOPHU-UHFFFAOYSA-N
XLogP3.53
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-2-ylphenyl)methanone
CID 126745488
[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 126745497
(4-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 90452171
[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone
CID 126745511
[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone
CID 126745391
[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-2-ylphenyl)methanone
CID 126745539
(4-fluoro-2-pyrimidin-2-ylphenyl)-[(1S,4S,6R)-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 140702394
[(6R)-6-[(5-fluoro-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 122184044
[3-fluoro-2-(triazol-2-yl)phenyl]-[(1S,4S,6R)-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 140702375
(7-ethoxyquinolin-8-yl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 90452161
[(1S,6R)-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 175790649
[2-(triazol-2-yl)phenyl]-[(1S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 90413676

Frequently Asked Questions

What is the IUPAC name of [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrazin-2-ylphenyl)methanone?
The IUPAC name of [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrazin-2-ylphenyl)methanone (CID 126745492) is [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrazin-2-ylphenyl)methanone.
What is the SMILES notation for [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrazin-2-ylphenyl)methanone?
The canonical SMILES for [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrazin-2-ylphenyl)methanone is Cc1ccc(OC2CC3CC2N(C(=O)c2ccccc2-c2cnccn2)C3)nc1.
What is the InChIKey of [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrazin-2-ylphenyl)methanone?
The InChIKey is OTHACVDYDNOPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15-6-7-22(26-12-15)29-21-11-16-10-20(21)27(14-16)23(28)18-5-3-2-4-17(18)19-13-24-8-9-25-19/h2-9,12-13,16,20-21H,10-11,14H2,1H3.
What are the key properties of [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrazin-2-ylphenyl)methanone?
[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrazin-2-ylphenyl)methanone has a molecular weight of 386.46 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrazin-2-ylphenyl)methanone is sourced from PubChem (CID 126745492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).