5-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

C23H31N7O — CID 142747406

IUPAC5-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCOc1nc(-c2cn[nH]c2)ccc1-c1cnnc(N(C)C2CC(C)(C)NC(C)(C)C2)c1
InChIInChI=1S/C23H31N7O/c1-22(2)10-17(11-23(3,4)29-22)30(5)20-9-15(12-26-28-20)18-7-8-19(27-21(18)31-6)16-13-24-25-14-16/h7-9,12-14,17,29H,10-11H2,1-6H3,(H,24,25)
InChIKeyIWMDITJGXOCJHV-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.68
Rot. Bonds5

About 5-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

5-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (PubChem CID 142747406) has the molecular formula C23H31N7O and a molecular weight of 421.55 g/mol. Its IUPAC name is 5-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.

Molecular Properties

Compound Name5-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
PubChem CID142747406
Molecular FormulaC23H31N7O
Molecular Weight421.55 g/mol
Exact Mass421.26
IUPAC Name5-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCOc1nc(-c2cn[nH]c2)ccc1-c1cnnc(N(C)C2CC(C)(C)NC(C)(C)C2)c1
InChIInChI=1S/C23H31N7O/c1-22(2)10-17(11-23(3,4)29-22)30(5)20-9-15(12-26-28-20)18-7-8-19(27-21(18)31-6)16-13-24-25-14-16/h7-9,12-14,17,29H,10-11H2,1-6H3,(H,24,25)
InChIKeyIWMDITJGXOCJHV-UHFFFAOYSA-N
XLogP3.68
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The IUPAC name of 5-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (CID 142747406) is 5-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.
What is the SMILES notation for 5-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The canonical SMILES for 5-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is COc1nc(-c2cn[nH]c2)ccc1-c1cnnc(N(C)C2CC(C)(C)NC(C)(C)C2)c1.
What is the InChIKey of 5-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The InChIKey is IWMDITJGXOCJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O/c1-22(2)10-17(11-23(3,4)29-22)30(5)20-9-15(12-26-28-20)18-7-8-19(27-21(18)31-6)16-13-24-25-14-16/h7-9,12-14,17,29H,10-11H2,1-6H3,(H,24,25).
What are the key properties of 5-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
5-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine has a molecular weight of 421.55 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is sourced from PubChem (CID 142747406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).