4-[[3-methoxy-4-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide

C21H26N10O3 — CID 160630394

About 4-[[3-methoxy-4-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide

4-[[3-methoxy-4-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide (PubChem CID 160630394) has the molecular formula C21H26N10O3 and a molecular weight of 469.52 g/mol. Its IUPAC name is 4-[[3-methoxy-4-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[3-methoxy-4-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide
• PubChem CID: 160630394
• Molecular Formula: C21H26N10O3
• Molecular Weight: 469.52 g/mol
• Exact Mass: 469.24
• IUPAC Name: 4-[[3-methoxy-4-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide
• SMILES: [2H]C([2H])([2H])n1cnc(-c2ccnc(Nc3cc(N4CCN(C(C)C)C4=O)nnc3C(=O)NC)c2OC)n1
• InChI: InChI=1S/C21H26N10O3/c1-12(2)30-8-9-31(21(30)33)15-10-14(16(27-26-15)20(32)22-3)25-19-17(34-5)13(6-7-23-19)18-24-11-29(4)28-18/h6-7,10-12H,8-9H2,1-5H3,(H,22,32)(H,23,25,26)/i4D3
• InChIKey: RHVSHKXXVLQMQN-GKOSEXJESA-N
• XLogP: 1.43
• TPSA: 143.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.52
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[[3-methoxy-4-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide?

The IUPAC name of 4-[[3-methoxy-4-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide (CID 160630394) is 4-[[3-methoxy-4-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide.

What is the SMILES notation for 4-[[3-methoxy-4-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide?

The canonical SMILES for 4-[[3-methoxy-4-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide is [2H]C([2H])([2H])n1cnc(-c2ccnc(Nc3cc(N4CCN(C(C)C)C4=O)nnc3C(=O)NC)c2OC)n1.

What is the InChIKey of 4-[[3-methoxy-4-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide?

The InChIKey is RHVSHKXXVLQMQN-GKOSEXJESA-N. The full InChI is InChI=1S/C21H26N10O3/c1-12(2)30-8-9-31(21(30)33)15-10-14(16(27-26-15)20(32)22-3)25-19-17(34-5)13(6-7-23-19)18-24-11-29(4)28-18/h6-7,10-12H,8-9H2,1-5H3,(H,22,32)(H,23,25,26)/i4D3.

What are the key properties of 4-[[3-methoxy-4-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide?

4-[[3-methoxy-4-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-methoxy-4-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 160630394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).