1-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-propan-2-ylimidazole-4-sulfonamide

C21H27N7O3S — CID 122355254

About 1-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-propan-2-ylimidazole-4-sulfonamide

1-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 122355254) has the molecular formula C21H27N7O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is 1-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

• Compound Name: 1-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-propan-2-ylimidazole-4-sulfonamide
• PubChem CID: 122355254
• Molecular Formula: C21H27N7O3S
• Molecular Weight: 457.56 g/mol
• Exact Mass: 457.19
• IUPAC Name: 1-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-propan-2-ylimidazole-4-sulfonamide
• SMILES: CC(C)c1nc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)cn1C
• InChI: InChI=1S/C21H27N7O3S/c1-15(2)21-24-20(14-27(21)3)32(29,30)26-17-6-4-16(5-7-17)23-19-12-18(13-22-25-19)28-8-10-31-11-9-28/h4-7,12-15,26H,8-11H2,1-3H3,(H,23,25)
• InChIKey: DTRJKKNOEGNCPU-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 114.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.56
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-propan-2-ylimidazole-4-sulfonamide?

The IUPAC name of 1-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-propan-2-ylimidazole-4-sulfonamide (CID 122355254) is 1-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-propan-2-ylimidazole-4-sulfonamide.

What is the SMILES notation for 1-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-propan-2-ylimidazole-4-sulfonamide?

The canonical SMILES for 1-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-propan-2-ylimidazole-4-sulfonamide is CC(C)c1nc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)cn1C.

What is the InChIKey of 1-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-propan-2-ylimidazole-4-sulfonamide?

The InChIKey is DTRJKKNOEGNCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O3S/c1-15(2)21-24-20(14-27(21)3)32(29,30)26-17-6-4-16(5-7-17)23-19-12-18(13-22-25-19)28-8-10-31-11-9-28/h4-7,12-15,26H,8-11H2,1-3H3,(H,23,25).

What are the key properties of 1-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-propan-2-ylimidazole-4-sulfonamide?

1-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 457.56 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 122355254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).