3-(2,6-dimethylpiperidin-4-yl)oxy-6-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazine

C21H25N5O2 — CID 140634406

IUPAC3-(2,6-dimethylpiperidin-4-yl)oxy-6-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazine
SMILESCOc1cc(-n2cccn2)ccc1-c1ccc(OC2CC(C)NC(C)C2)nn1
InChIInChI=1S/C21H25N5O2/c1-14-11-17(12-15(2)23-14)28-21-8-7-19(24-25-21)18-6-5-16(13-20(18)27-3)26-10-4-9-22-26/h4-10,13-15,17,23H,11-12H2,1-3H3
InChIKeyDPWQNNYQFIUBSP-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.25
Rot. Bonds5

About 3-(2,6-dimethylpiperidin-4-yl)oxy-6-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazine

3-(2,6-dimethylpiperidin-4-yl)oxy-6-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazine (PubChem CID 140634406) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(2,6-dimethylpiperidin-4-yl)oxy-6-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazine.

Molecular Properties

Compound Name3-(2,6-dimethylpiperidin-4-yl)oxy-6-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazine
PubChem CID140634406
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name3-(2,6-dimethylpiperidin-4-yl)oxy-6-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazine
SMILESCOc1cc(-n2cccn2)ccc1-c1ccc(OC2CC(C)NC(C)C2)nn1
InChIInChI=1S/C21H25N5O2/c1-14-11-17(12-15(2)23-14)28-21-8-7-19(24-25-21)18-6-5-16(13-20(18)27-3)26-10-4-9-22-26/h4-10,13-15,17,23H,11-12H2,1-3H3
InChIKeyDPWQNNYQFIUBSP-UHFFFAOYSA-N
XLogP3.25
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylpiperidin-4-yl)oxy-6-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazine?
The IUPAC name of 3-(2,6-dimethylpiperidin-4-yl)oxy-6-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazine (CID 140634406) is 3-(2,6-dimethylpiperidin-4-yl)oxy-6-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazine.
What is the SMILES notation for 3-(2,6-dimethylpiperidin-4-yl)oxy-6-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazine?
The canonical SMILES for 3-(2,6-dimethylpiperidin-4-yl)oxy-6-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazine is COc1cc(-n2cccn2)ccc1-c1ccc(OC2CC(C)NC(C)C2)nn1.
What is the InChIKey of 3-(2,6-dimethylpiperidin-4-yl)oxy-6-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazine?
The InChIKey is DPWQNNYQFIUBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-14-11-17(12-15(2)23-14)28-21-8-7-19(24-25-21)18-6-5-16(13-20(18)27-3)26-10-4-9-22-26/h4-10,13-15,17,23H,11-12H2,1-3H3.
What are the key properties of 3-(2,6-dimethylpiperidin-4-yl)oxy-6-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazine?
3-(2,6-dimethylpiperidin-4-yl)oxy-6-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazine has a molecular weight of 379.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylpiperidin-4-yl)oxy-6-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazine is sourced from PubChem (CID 140634406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).