4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[2-oxo-3-(oxolan-3-yl)imidazolidin-1-yl]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C23H27N9O4 — CID 177373601

About 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[2-oxo-3-(oxolan-3-yl)imidazolidin-1-yl]-N-(trideuteriomethyl)pyridazine-3-carboxamide

4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[2-oxo-3-(oxolan-3-yl)imidazolidin-1-yl]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 177373601) has the molecular formula C23H27N9O4 and a molecular weight of 496.55 g/mol. Its IUPAC name is 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[2-oxo-3-(oxolan-3-yl)imidazolidin-1-yl]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[2-oxo-3-(oxolan-3-yl)imidazolidin-1-yl]-N-(trideuteriomethyl)pyridazine-3-carboxamide
• PubChem CID: 177373601
• Molecular Formula: C23H27N9O4
• Molecular Weight: 496.55 g/mol
• Exact Mass: 496.24
• IUPAC Name: 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[2-oxo-3-(oxolan-3-yl)imidazolidin-1-yl]-N-(trideuteriomethyl)pyridazine-3-carboxamide
• SMILES: [2H]C([2H])([2H])NC(=O)c1nnc(N2CCN(C3CCOC3)C2=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
• InChI: InChI=1S/C23H27N9O4/c1-24-22(33)19-17(26-16-6-4-5-15(20(16)35-3)21-25-13-30(2)29-21)11-18(27-28-19)32-9-8-31(23(32)34)14-7-10-36-12-14/h4-6,11,13-14H,7-10,12H2,1-3H3,(H,24,33)(H,26,27)/i1D3
• InChIKey: JUBFIMSSPWXCSH-FIBGUPNXSA-N
• XLogP: 1.41
• TPSA: 139.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.55
LogP ≤ 5	1.41
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]-6-[2-oxo-3-(oxolan-3-yl)imidazolidin-1-yl]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The IUPAC name of 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[2-oxo-3-(oxolan-3-yl)imidazolidin-1-yl]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 177373601) is 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[2-oxo-3-(oxolan-3-yl)imidazolidin-1-yl]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

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

The canonical SMILES for 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[2-oxo-3-(oxolan-3-yl)imidazolidin-1-yl]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(N2CCN(C3CCOC3)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]-6-[2-oxo-3-(oxolan-3-yl)imidazolidin-1-yl]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The InChIKey is JUBFIMSSPWXCSH-FIBGUPNXSA-N. The full InChI is InChI=1S/C23H27N9O4/c1-24-22(33)19-17(26-16-6-4-5-15(20(16)35-3)21-25-13-30(2)29-21)11-18(27-28-19)32-9-8-31(23(32)34)14-7-10-36-12-14/h4-6,11,13-14H,7-10,12H2,1-3H3,(H,24,33)(H,26,27)/i1D3.

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

4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[2-oxo-3-(oxolan-3-yl)imidazolidin-1-yl]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 496.55 g/mol, XLogP of 1.41, 8 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]-6-[2-oxo-3-(oxolan-3-yl)imidazolidin-1-yl]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 177373601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).