N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1-methyl-6-oxopyridazine-3-carboxamide

C22H21N7O3 — CID 122313524

About N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 122313524) has the molecular formula C22H21N7O3 and a molecular weight of 431.46 g/mol. Its IUPAC name is N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1-methyl-6-oxopyridazine-3-carboxamide
• PubChem CID: 122313524
• Molecular Formula: C22H21N7O3
• Molecular Weight: 431.46 g/mol
• Exact Mass: 431.17
• IUPAC Name: N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1-methyl-6-oxopyridazine-3-carboxamide
• SMILES: Cc1nc(Oc2ccc(NC(=O)c3ccc(=O)n(C)n3)cc2)cc(-n2cnc(C)c2C)n1
• InChI: InChI=1S/C22H21N7O3/c1-13-14(2)29(12-23-13)19-11-20(25-15(3)24-19)32-17-7-5-16(6-8-17)26-22(31)18-9-10-21(30)28(4)27-18/h5-12H,1-4H3,(H,26,31)
• InChIKey: PCAMWKNKEZFGNJ-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 116.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.46
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1-methyl-6-oxopyridazine-3-carboxamide?

The IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 122313524) is N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1-methyl-6-oxopyridazine-3-carboxamide.

What is the SMILES notation for N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1-methyl-6-oxopyridazine-3-carboxamide?

The canonical SMILES for N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cc1nc(Oc2ccc(NC(=O)c3ccc(=O)n(C)n3)cc2)cc(-n2cnc(C)c2C)n1.

What is the InChIKey of N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1-methyl-6-oxopyridazine-3-carboxamide?

The InChIKey is PCAMWKNKEZFGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3/c1-13-14(2)29(12-23-13)19-11-20(25-15(3)24-19)32-17-7-5-16(6-8-17)26-22(31)18-9-10-21(30)28(4)27-18/h5-12H,1-4H3,(H,26,31).

What are the key properties of N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1-methyl-6-oxopyridazine-3-carboxamide?

N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 122313524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).