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

C23H28N8O3 — CID 171457746

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

6-[cyclopropanecarbonyl(propan-2-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 171457746) has the molecular formula C23H28N8O3 and a molecular weight of 467.55 g/mol. Its IUPAC name is 6-[cyclopropanecarbonyl(propan-2-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[cyclopropanecarbonyl(propan-2-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
• PubChem CID: 171457746
• Molecular Formula: C23H28N8O3
• Molecular Weight: 467.55 g/mol
• Exact Mass: 467.25
• IUPAC Name: 6-[cyclopropanecarbonyl(propan-2-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
• SMILES: [2H]C([2H])([2H])NC(=O)c1nnc(N(C(=O)C2CC2)C(C)C)cc1Nc1cccc(-c2ncn(C)n2)c1OC
• InChI: InChI=1S/C23H28N8O3/c1-13(2)31(23(33)14-9-10-14)18-11-17(19(28-27-18)22(32)24-3)26-16-8-6-7-15(20(16)34-5)21-25-12-30(4)29-21/h6-8,11-14H,9-10H2,1-5H3,(H,24,32)(H,26,27)/i3D3
• InChIKey: CETDEFIFFYJVQC-HPRDVNIFSA-N
• XLogP: 2.54
• TPSA: 127.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.55
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-[cyclopropanecarbonyl(propan-2-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 171457746) is 6-[cyclopropanecarbonyl(propan-2-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

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

The canonical SMILES for 6-[cyclopropanecarbonyl(propan-2-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(N(C(=O)C2CC2)C(C)C)cc1Nc1cccc(-c2ncn(C)n2)c1OC.

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

The InChIKey is CETDEFIFFYJVQC-HPRDVNIFSA-N. The full InChI is InChI=1S/C23H28N8O3/c1-13(2)31(23(33)14-9-10-14)18-11-17(19(28-27-18)22(32)24-3)26-16-8-6-7-15(20(16)34-5)21-25-12-30(4)29-21/h6-8,11-14H,9-10H2,1-5H3,(H,24,32)(H,26,27)/i3D3.

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

6-[cyclopropanecarbonyl(propan-2-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[cyclopropanecarbonyl(propan-2-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 171457746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).