[3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridazin-3-ylphenyl)methanone

C24H24N4O2 — CID 118940650

IUPAC[3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridazin-3-ylphenyl)methanone
SMILESCc1ccc(OC2CC3CC2N(C(=O)c2ccccc2-c2cccnn2)C3C)nc1
InChIInChI=1S/C24H24N4O2/c1-15-9-10-23(25-14-15)30-22-13-17-12-21(22)28(16(17)2)24(29)19-7-4-3-6-18(19)20-8-5-11-26-27-20/h3-11,14,16-17,21-22H,12-13H2,1-2H3
InChIKeyVKQKKESLWLBLOV-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.92
Rot. Bonds4

About [3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridazin-3-ylphenyl)methanone

[3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridazin-3-ylphenyl)methanone (PubChem CID 118940650) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is [3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridazin-3-ylphenyl)methanone.

Molecular Properties

Compound Name[3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridazin-3-ylphenyl)methanone
PubChem CID118940650
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name[3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridazin-3-ylphenyl)methanone
SMILESCc1ccc(OC2CC3CC2N(C(=O)c2ccccc2-c2cccnn2)C3C)nc1
InChIInChI=1S/C24H24N4O2/c1-15-9-10-23(25-14-15)30-22-13-17-12-21(22)28(16(17)2)24(29)19-7-4-3-6-18(19)20-8-5-11-26-27-20/h3-11,14,16-17,21-22H,12-13H2,1-2H3
InChIKeyVKQKKESLWLBLOV-UHFFFAOYSA-N
XLogP3.92
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridazin-3-ylphenyl)methanone with MolForge

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Related Compounds

[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridazin-3-ylphenyl)methanone
CID 126762406
[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-2-ylphenyl)methanone
CID 126745488
[(1S,3S,4R,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 118939618
[3-(4-fluorophenyl)phenyl]-[3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 118940596
[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrazin-2-ylphenyl)methanone
CID 126745492
[3-methyl-6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
CID 118940608
(4-fluoro-2-pyrimidin-2-ylphenyl)-[(1S,3R,4R,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 118939524
[(1S,3R,4R,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 118939692
[3-fluoro-2-(triazol-2-yl)phenyl]-[(1S,3R,4R,6R)-3-methyl-6-quinoxalin-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 118939446
[(1S,3R,4R,6R)-3-ethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone
CID 118939394
[5-fluoro-2-(triazol-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 118939701
[4-methyl-7-[(5-methyl-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 145041017

Frequently Asked Questions

What is the IUPAC name of [3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridazin-3-ylphenyl)methanone?
The IUPAC name of [3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridazin-3-ylphenyl)methanone (CID 118940650) is [3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridazin-3-ylphenyl)methanone.
What is the SMILES notation for [3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridazin-3-ylphenyl)methanone?
The canonical SMILES for [3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridazin-3-ylphenyl)methanone is Cc1ccc(OC2CC3CC2N(C(=O)c2ccccc2-c2cccnn2)C3C)nc1.
What is the InChIKey of [3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridazin-3-ylphenyl)methanone?
The InChIKey is VKQKKESLWLBLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-15-9-10-23(25-14-15)30-22-13-17-12-21(22)28(16(17)2)24(29)19-7-4-3-6-18(19)20-8-5-11-26-27-20/h3-11,14,16-17,21-22H,12-13H2,1-2H3.
What are the key properties of [3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridazin-3-ylphenyl)methanone?
[3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridazin-3-ylphenyl)methanone has a molecular weight of 400.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridazin-3-ylphenyl)methanone is sourced from PubChem (CID 118940650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).