5-[3-hydroxy-5-(2-methylprop-2-enyl)-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one

C30H39N5O2 — CID 145135948

About 5-[3-hydroxy-5-(2-methylprop-2-enyl)-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one

5-[3-hydroxy-5-(2-methylprop-2-enyl)-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one (PubChem CID 145135948) has the molecular formula C30H39N5O2 and a molecular weight of 501.68 g/mol. Its IUPAC name is 5-[3-hydroxy-5-(2-methylprop-2-enyl)-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one.

Molecular Properties

• Compound Name: 5-[3-hydroxy-5-(2-methylprop-2-enyl)-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one
• PubChem CID: 145135948
• Molecular Formula: C30H39N5O2
• Molecular Weight: 501.68 g/mol
• Exact Mass: 501.31
• IUPAC Name: 5-[3-hydroxy-5-(2-methylprop-2-enyl)-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one
• SMILES: C=C(C)Cc1cc(-c2ccc(=O)n(C)c2)cc(O)c1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
• InChI: InChI=1S/C30H39N5O2/c1-19(2)13-22-14-21(20-9-12-27(37)34(7)18-20)15-25(36)28(22)24-10-11-26(32-31-24)35(8)23-16-29(3,4)33-30(5,6)17-23/h9-12,14-15,18,23,33,36H,1,13,16-17H2,2-8H3
• InChIKey: DFOMUJSQJHEVFB-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 83.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.68
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-hydroxy-5-(2-methylprop-2-enyl)-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one?

The IUPAC name of 5-[3-hydroxy-5-(2-methylprop-2-enyl)-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one (CID 145135948) is 5-[3-hydroxy-5-(2-methylprop-2-enyl)-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one.

What is the SMILES notation for 5-[3-hydroxy-5-(2-methylprop-2-enyl)-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one?

The canonical SMILES for 5-[3-hydroxy-5-(2-methylprop-2-enyl)-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one is C=C(C)Cc1cc(-c2ccc(=O)n(C)c2)cc(O)c1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.

What is the InChIKey of 5-[3-hydroxy-5-(2-methylprop-2-enyl)-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one?

The InChIKey is DFOMUJSQJHEVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O2/c1-19(2)13-22-14-21(20-9-12-27(37)34(7)18-20)15-25(36)28(22)24-10-11-26(32-31-24)35(8)23-16-29(3,4)33-30(5,6)17-23/h9-12,14-15,18,23,33,36H,1,13,16-17H2,2-8H3.

What are the key properties of 5-[3-hydroxy-5-(2-methylprop-2-enyl)-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one?

5-[3-hydroxy-5-(2-methylprop-2-enyl)-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one has a molecular weight of 501.68 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-hydroxy-5-(2-methylprop-2-enyl)-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one is sourced from PubChem (CID 145135948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).