6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]pyridazin-3-one

C24H36N6O — CID 126937133

About 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]pyridazin-3-one

6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]pyridazin-3-one (PubChem CID 126937133) has the molecular formula C24H36N6O and a molecular weight of 424.59 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]pyridazin-3-one
• PubChem CID: 126937133
• Molecular Formula: C24H36N6O
• Molecular Weight: 424.59 g/mol
• Exact Mass: 424.30
• IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]pyridazin-3-one
• SMILES: Cc1cc(C)n(-c2ccc(=O)n(C3CCC(NC4CC5CCCC(C4)N5C)CC3)n2)n1
• InChI: InChI=1S/C24H36N6O/c1-16-13-17(2)29(26-16)23-11-12-24(31)30(27-23)20-9-7-18(8-10-20)25-19-14-21-5-4-6-22(15-19)28(21)3/h11-13,18-22,25H,4-10,14-15H2,1-3H3
• InChIKey: NFUSFQCDOMCNMH-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 67.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.59
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]pyridazin-3-one?

The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]pyridazin-3-one (CID 126937133) is 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]pyridazin-3-one.

What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]pyridazin-3-one?

The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(C3CCC(NC4CC5CCCC(C4)N5C)CC3)n2)n1.

What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]pyridazin-3-one?

The InChIKey is NFUSFQCDOMCNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O/c1-16-13-17(2)29(26-16)23-11-12-24(31)30(27-23)20-9-7-18(8-10-20)25-19-14-21-5-4-6-22(15-19)28(21)3/h11-13,18-22,25H,4-10,14-15H2,1-3H3.

What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]pyridazin-3-one?

6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]pyridazin-3-one has a molecular weight of 424.59 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126937133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).