4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-6-[(6-methylpyrimidin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C20H20N10O3 — CID 161470901

About 4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-6-[(6-methylpyrimidin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-6-[(6-methylpyrimidin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 161470901) has the molecular formula C20H20N10O3 and a molecular weight of 451.47 g/mol. Its IUPAC name is 4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-6-[(6-methylpyrimidin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-6-[(6-methylpyrimidin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
• PubChem CID: 161470901
• Molecular Formula: C20H20N10O3
• Molecular Weight: 451.47 g/mol
• Exact Mass: 451.19
• IUPAC Name: 4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-6-[(6-methylpyrimidin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
• SMILES: [2H]C([2H])([2H])NC(=O)c1nnc(Nc2cc(C)ncn2)cc1Nc1nccc(-c2noc(C)n2)c1OC
• InChI: InChI=1S/C20H20N10O3/c1-10-7-14(24-9-23-10)27-15-8-13(16(29-28-15)20(31)21-3)26-19-17(32-4)12(5-6-22-19)18-25-11(2)33-30-18/h5-9H,1-4H3,(H,21,31)(H2,22,23,24,26,27,28)/i3D3
• InChIKey: WDBIPTSDGSXGQN-HPRDVNIFSA-N
• XLogP: 2.18
• TPSA: 165.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.47
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-6-[(6-methylpyrimidin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The IUPAC name of 4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-6-[(6-methylpyrimidin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 161470901) is 4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-6-[(6-methylpyrimidin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

What is the SMILES notation for 4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-6-[(6-methylpyrimidin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The canonical SMILES for 4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-6-[(6-methylpyrimidin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(Nc2cc(C)ncn2)cc1Nc1nccc(-c2noc(C)n2)c1OC.

What is the InChIKey of 4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-6-[(6-methylpyrimidin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The InChIKey is WDBIPTSDGSXGQN-HPRDVNIFSA-N. The full InChI is InChI=1S/C20H20N10O3/c1-10-7-14(24-9-23-10)27-15-8-13(16(29-28-15)20(31)21-3)26-19-17(32-4)12(5-6-22-19)18-25-11(2)33-30-18/h5-9H,1-4H3,(H,21,31)(H2,22,23,24,26,27,28)/i3D3.

What are the key properties of 4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-6-[(6-methylpyrimidin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-6-[(6-methylpyrimidin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 451.47 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-6-[(6-methylpyrimidin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 161470901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).