6-(3-but-3-yn-2-yl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide

C23H25N9O3 — CID 157498724

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

6-(3-but-3-yn-2-yl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide (PubChem CID 157498724) has the molecular formula C23H25N9O3 and a molecular weight of 475.51 g/mol. Its IUPAC name is 6-(3-but-3-yn-2-yl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3-but-3-yn-2-yl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide
• PubChem CID: 157498724
• Molecular Formula: C23H25N9O3
• Molecular Weight: 475.51 g/mol
• Exact Mass: 475.21
• IUPAC Name: 6-(3-but-3-yn-2-yl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide
• SMILES: C#CC(C)N1CCN(c2cc(Nc3cccc(-c4ncn(C)n4)c3OC)c(C(=O)NC)nn2)C1=O
• InChI: InChI=1S/C23H25N9O3/c1-6-14(2)31-10-11-32(23(31)34)18-12-17(19(28-27-18)22(33)24-3)26-16-9-7-8-15(20(16)35-5)21-25-13-30(4)29-21/h1,7-9,12-14H,10-11H2,2-5H3,(H,24,33)(H,26,27)
• InChIKey: BYDMJGIXNVPTLP-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 130.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.51
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-(3-but-3-yn-2-yl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide (CID 157498724) is 6-(3-but-3-yn-2-yl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide.

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

The canonical SMILES for 6-(3-but-3-yn-2-yl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide is C#CC(C)N1CCN(c2cc(Nc3cccc(-c4ncn(C)n4)c3OC)c(C(=O)NC)nn2)C1=O.

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

The InChIKey is BYDMJGIXNVPTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9O3/c1-6-14(2)31-10-11-32(23(31)34)18-12-17(19(28-27-18)22(33)24-3)26-16-9-7-8-15(20(16)35-5)21-25-13-30(4)29-21/h1,7-9,12-14H,10-11H2,2-5H3,(H,24,33)(H,26,27).

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

6-(3-but-3-yn-2-yl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide has a molecular weight of 475.51 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-but-3-yn-2-yl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 157498724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).