5-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C24H27N7O4 — CID 175858731

About 5-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

5-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 175858731) has the molecular formula C24H27N7O4 and a molecular weight of 480.54 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
• PubChem CID: 175858731
• Molecular Formula: C24H27N7O4
• Molecular Weight: 480.54 g/mol
• Exact Mass: 480.23
• IUPAC Name: 5-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
• SMILES: [2H]C([2H])([2H])NC(=O)c1nncc(NC(=O)C2CC2)c1Nc1cccc(-c2ccc(C(C)(C)O)nn2)c1OC
• InChI: InChI=1S/C24H27N7O4/c1-24(2,34)18-11-10-15(29-30-18)14-6-5-7-16(21(14)35-4)27-19-17(28-22(32)13-8-9-13)12-26-31-20(19)23(33)25-3/h5-7,10-13,34H,8-9H2,1-4H3,(H,25,33)(H,26,27)(H,28,31,32)/i3D3
• InChIKey: WLZVWIYMJNZZLJ-HPRDVNIFSA-N
• XLogP: 2.62
• TPSA: 151.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.54
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The IUPAC name of 5-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 175858731) is 5-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

What is the SMILES notation for 5-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The canonical SMILES for 5-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nncc(NC(=O)C2CC2)c1Nc1cccc(-c2ccc(C(C)(C)O)nn2)c1OC.

What is the InChIKey of 5-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The InChIKey is WLZVWIYMJNZZLJ-HPRDVNIFSA-N. The full InChI is InChI=1S/C24H27N7O4/c1-24(2,34)18-11-10-15(29-30-18)14-6-5-7-16(21(14)35-4)27-19-17(28-22(32)13-8-9-13)12-26-31-20(19)23(33)25-3/h5-7,10-13,34H,8-9H2,1-4H3,(H,25,33)(H,26,27)(H,28,31,32)/i3D3.

What are the key properties of 5-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

5-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 480.54 g/mol, XLogP of 2.62, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 175858731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).