6-chloro-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;1-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)imidazolidin-2-one;6-[3-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-2-oxoimidazolidin-1-yl]-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C44H55ClN18O6 — CID 159461927

About 6-chloro-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;1-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)imidazolidin-2-one;6-[3-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-2-oxoimidazolidin-1-yl]-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-chloro-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;1-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)imidazolidin-2-one;6-[3-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-2-oxoimidazolidin-1-yl]-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 159461927) has the molecular formula C44H55ClN18O6 and a molecular weight of 991.64 g/mol. Its IUPAC name is 6-chloro-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;1-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)imidazolidin-2-one;6-[3-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-2-oxoimidazolidin-1-yl]-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;1-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)imidazolidin-2-one;6-[3-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-2-oxoimidazolidin-1-yl]-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
• PubChem CID: 159461927
• Molecular Formula: C44H55ClN18O6
• Molecular Weight: 991.64 g/mol
• Exact Mass: 990.57
• IUPAC Name: 6-chloro-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;1-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)imidazolidin-2-one;6-[3-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-2-oxoimidazolidin-1-yl]-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
• SMILES: [2H]C([2H])([2H])C(N1CCNC1=O)C([2H])([2H])[2H].[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1cccc(-c2ncn(C([2H])([2H])[2H])n2)c1OC.[2H]C([2H])([2H])NC(=O)c1nnc(N2CCN(C(C([2H])([2H])[2H])C([2H])([2H])[2H])C2=O)cc1Nc1cccc(-c2ncn(C([2H])([2H])[2H])n2)c1OC
• InChI: InChI=1S/C22H27N9O3.C16H16ClN7O2.C6H12N2O/c1-13(2)30-9-10-31(22(30)33)17-11-16(18(27-26-17)21(32)23-3)25-15-8-6-7-14(19(15)34-5)20-24-12-29(4)28-20;1-18-16(25)13-11(7-12(17)21-22-13)20-10-6-4-5-9(14(10)26-3)15-19-8-24(2)23-15;1-5(2)8-4-3-7-6(8)9/h6-8,11-13H,9-10H2,1-5H3,(H,23,32)(H,25,26);4-8H,1-3H3,(H,18,25)(H,20,21);5H,3-4H2,1-2H3,(H,7,9)/i1D3,2D3,3D3,4D3;2*1D3,2D3
• InChIKey: LURSMXPCBSBXQY-ICMMIMCLSA-N
• XLogP: 4.49
• TPSA: 269.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	991.64
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;1-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)imidazolidin-2-one;6-[3-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-2-oxoimidazolidin-1-yl]-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The IUPAC name of 6-chloro-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;1-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)imidazolidin-2-one;6-[3-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-2-oxoimidazolidin-1-yl]-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 159461927) is 6-chloro-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;1-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)imidazolidin-2-one;6-[3-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-2-oxoimidazolidin-1-yl]-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

What is the SMILES notation for 6-chloro-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;1-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)imidazolidin-2-one;6-[3-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-2-oxoimidazolidin-1-yl]-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The canonical SMILES for 6-chloro-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;1-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)imidazolidin-2-one;6-[3-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-2-oxoimidazolidin-1-yl]-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])C(N1CCNC1=O)C([2H])([2H])[2H].[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1cccc(-c2ncn(C([2H])([2H])[2H])n2)c1OC.[2H]C([2H])([2H])NC(=O)c1nnc(N2CCN(C(C([2H])([2H])[2H])C([2H])([2H])[2H])C2=O)cc1Nc1cccc(-c2ncn(C([2H])([2H])[2H])n2)c1OC.

What is the InChIKey of 6-chloro-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;1-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)imidazolidin-2-one;6-[3-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-2-oxoimidazolidin-1-yl]-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The InChIKey is LURSMXPCBSBXQY-ICMMIMCLSA-N. The full InChI is InChI=1S/C22H27N9O3.C16H16ClN7O2.C6H12N2O/c1-13(2)30-9-10-31(22(30)33)17-11-16(18(27-26-17)21(32)23-3)25-15-8-6-7-14(19(15)34-5)20-24-12-29(4)28-20;1-18-16(25)13-11(7-12(17)21-22-13)20-10-6-4-5-9(14(10)26-3)15-19-8-24(2)23-15;1-5(2)8-4-3-7-6(8)9/h6-8,11-13H,9-10H2,1-5H3,(H,23,32)(H,25,26);4-8H,1-3H3,(H,18,25)(H,20,21);5H,3-4H2,1-2H3,(H,7,9)/i1D3,2D3,3D3,4D3;2*1D3,2D3.

What are the key properties of 6-chloro-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;1-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)imidazolidin-2-one;6-[3-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-2-oxoimidazolidin-1-yl]-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

6-chloro-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;1-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)imidazolidin-2-one;6-[3-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-2-oxoimidazolidin-1-yl]-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 991.64 g/mol, XLogP of 4.49, 21 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;1-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)imidazolidin-2-one;6-[3-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-2-oxoimidazolidin-1-yl]-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 159461927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).