4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]pyridazine-3-carboxamide

C22H25N9O4 — CID 162232489

About 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]pyridazine-3-carboxamide

4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]pyridazine-3-carboxamide (PubChem CID 162232489) has the molecular formula C22H25N9O4 and a molecular weight of 479.50 g/mol. Its IUPAC name is 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]pyridazine-3-carboxamide
• PubChem CID: 162232489
• Molecular Formula: C22H25N9O4
• Molecular Weight: 479.50 g/mol
• Exact Mass: 479.20
• IUPAC Name: 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]pyridazine-3-carboxamide
• SMILES: CNC(=O)c1nnc(N2CCN(C3COC3)C2=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
• InChI: InChI=1S/C22H25N9O4/c1-23-21(32)18-16(9-17(26-27-18)31-8-7-30(22(31)33)13-10-35-11-13)25-15-6-4-5-14(19(15)34-3)20-24-12-29(2)28-20/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H,23,32)(H,25,26)
• InChIKey: ZVPQUSOCPWEOGB-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 139.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.50
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]pyridazine-3-carboxamide?

The IUPAC name of 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]pyridazine-3-carboxamide (CID 162232489) is 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]pyridazine-3-carboxamide.

What is the SMILES notation for 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]pyridazine-3-carboxamide?

The canonical SMILES for 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]pyridazine-3-carboxamide is CNC(=O)c1nnc(N2CCN(C3COC3)C2=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC.

What is the InChIKey of 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]pyridazine-3-carboxamide?

The InChIKey is ZVPQUSOCPWEOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9O4/c1-23-21(32)18-16(9-17(26-27-18)31-8-7-30(22(31)33)13-10-35-11-13)25-15-6-4-5-14(19(15)34-3)20-24-12-29(2)28-20/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H,23,32)(H,25,26).

What are the key properties of 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]pyridazine-3-carboxamide?

4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 479.50 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 162232489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).