2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

C42H53N11O2 — CID 156579778

IUPAC2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCC1CC(Oc2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC(C)N1.CN(c1ccc(-c2ccc3nn(C)cc3c2)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H30N6.C20H23N5O2/c1-21(2)12-17(13-22(3,4)26-21)28(6)20-10-9-18(23-24-20)15-7-8-19-16(11-15)14-27(5)25-19;1-13-10-16(11-14(2)22-13)27-20-7-6-18(23-24-20)17-5-4-15(12-19(17)26)25-9-3-8-21-25/h7-11,14,17,26H,12-13H2,1-6H3;3-9,12-14,16,22,26H,10-11H2,1-2H3
InChIKeyFXHLWLINDFUKAR-UHFFFAOYSA-N
MW743.96 g/mol
LogP6.72
Rot. Bonds7

About 2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (PubChem CID 156579778) has the molecular formula C42H53N11O2 and a molecular weight of 743.96 g/mol. Its IUPAC name is 2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.

Molecular Properties

Compound Name2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
PubChem CID156579778
Molecular FormulaC42H53N11O2
Molecular Weight743.96 g/mol
Exact Mass743.44
IUPAC Name2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCC1CC(Oc2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC(C)N1.CN(c1ccc(-c2ccc3nn(C)cc3c2)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H30N6.C20H23N5O2/c1-21(2)12-17(13-22(3,4)26-21)28(6)20-10-9-18(23-24-20)15-7-8-19-16(11-15)14-27(5)25-19;1-13-10-16(11-14(2)22-13)27-20-7-6-18(23-24-20)17-5-4-15(12-19(17)26)25-9-3-8-21-25/h7-11,14,17,26H,12-13H2,1-6H3;3-9,12-14,16,22,26H,10-11H2,1-2H3
InChIKeyFXHLWLINDFUKAR-UHFFFAOYSA-N
XLogP6.72
TPSA143.96 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500743.96
LogP ≤ 56.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The IUPAC name of 2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (CID 156579778) is 2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.
What is the SMILES notation for 2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The canonical SMILES for 2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is CC1CC(Oc2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC(C)N1.CN(c1ccc(-c2ccc3nn(C)cc3c2)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The InChIKey is FXHLWLINDFUKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6.C20H23N5O2/c1-21(2)12-17(13-22(3,4)26-21)28(6)20-10-9-18(23-24-20)15-7-8-19-16(11-15)14-27(5)25-19;1-13-10-16(11-14(2)22-13)27-20-7-6-18(23-24-20)17-5-4-15(12-19(17)26)25-9-3-8-21-25/h7-11,14,17,26H,12-13H2,1-6H3;3-9,12-14,16,22,26H,10-11H2,1-2H3.
What are the key properties of 2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine has a molecular weight of 743.96 g/mol, XLogP of 6.72, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is sourced from PubChem (CID 156579778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).