sodium;6-(3-acetyl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(2-oxoimidazolidin-1-yl)-N-(trideuteriomethyl)pyridazine-3-carboxamide;hydroxide

C56H61ClN25NaO10 — CID 158343159

IUPACsodium;6-(3-acetyl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(2-oxoimidazolidin-1-yl)-N-(trideuteriomethyl)pyridazine-3-carboxamide;hydroxide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1cccc(-c2ncn(C)n2)c1OC.[2H]C([2H])([2H])NC(=O)c1nnc(N2CCN(C(C)=O)C2=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC.[2H]C([2H])([2H])NC(=O)c1nnc(N2CCNC2=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC.[Na+].[OH-]
InChIInChI=1S/C21H23N9O4.C19H21N9O3.C16H16ClN7O2.Na.H2O/c1-12(31)29-8-9-30(21(29)33)16-10-15(17(26-25-16)20(32)22-2)24-14-7-5-6-13(18(14)34-4)19-23-11-28(3)27-19;1-20-18(29)15-13(9-14(24-25-15)28-8-7-21-19(28)30)23-12-6-4-5-11(16(12)31-3)17-22-10-27(2)26-17;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;;/h5-7,10-11H,8-9H2,1-4H3,(H,22,32)(H,24,25);4-6,9-10H,7-8H2,1-3H3,(H,20,29)(H,21,30)(H,23,24);4-8H,1-3H3,(H,18,25)(H,20,21);;1H2/q;;;+1;/p-1/i2D3;2*1D3;;
InChIKeyGRKAXVQOYKXJIG-GQWMACQESA-M
MW1311.77 g/mol
LogP0.95
Rot. Bonds20

About sodium;6-(3-acetyl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(2-oxoimidazolidin-1-yl)-N-(trideuteriomethyl)pyridazine-3-carboxamide;hydroxide

sodium;6-(3-acetyl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(2-oxoimidazolidin-1-yl)-N-(trideuteriomethyl)pyridazine-3-carboxamide;hydroxide (PubChem CID 158343159) has the molecular formula C56H61ClN25NaO10 and a molecular weight of 1311.77 g/mol. Its IUPAC name is sodium;6-(3-acetyl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(2-oxoimidazolidin-1-yl)-N-(trideuteriomethyl)pyridazine-3-carboxamide;hydroxide.

Molecular Properties

Compound Namesodium;6-(3-acetyl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(2-oxoimidazolidin-1-yl)-N-(trideuteriomethyl)pyridazine-3-carboxamide;hydroxide
PubChem CID158343159
Molecular FormulaC56H61ClN25NaO10
Molecular Weight1311.77 g/mol
Exact Mass1310.52
IUPAC Namesodium;6-(3-acetyl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(2-oxoimidazolidin-1-yl)-N-(trideuteriomethyl)pyridazine-3-carboxamide;hydroxide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1cccc(-c2ncn(C)n2)c1OC.[2H]C([2H])([2H])NC(=O)c1nnc(N2CCN(C(C)=O)C2=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC.[2H]C([2H])([2H])NC(=O)c1nnc(N2CCNC2=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC.[Na+].[OH-]
InChIInChI=1S/C21H23N9O4.C19H21N9O3.C16H16ClN7O2.Na.H2O/c1-12(31)29-8-9-30(21(29)33)16-10-15(17(26-25-16)20(32)22-2)24-14-7-5-6-13(18(14)34-4)19-23-11-28(3)27-19;1-20-18(29)15-13(9-14(24-25-15)28-8-7-21-19(28)30)23-12-6-4-5-11(16(12)31-3)17-22-10-27(2)26-17;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;;/h5-7,10-11H,8-9H2,1-4H3,(H,22,32)(H,24,25);4-6,9-10H,7-8H2,1-3H3,(H,20,29)(H,21,30)(H,23,24);4-8H,1-3H3,(H,18,25)(H,20,21);;1H2/q;;;+1;/p-1/i2D3;2*1D3;;
InChIKeyGRKAXVQOYKXJIG-GQWMACQESA-M
XLogP0.95
TPSA423.51 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001311.77
LogP ≤ 50.95
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Analyze sodium;6-(3-acetyl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(2-oxoimidazolidin-1-yl)-N-(trideuteriomethyl)pyridazine-3-carboxamide;hydroxide with MolForge

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Related Compounds

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
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(3-methyl-2-oxoimidazolidin-1-yl)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 155270630
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[2-oxo-3-(oxolan-3-yl)imidazolidin-1-yl]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 177373601
6-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 155270626
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]pyridazine-3-carboxamide
CID 162232489
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propylimidazolidin-1-yl)pyridazine-3-carboxamide
CID 160526347
6-[3-(cyanomethyl)-2-oxoimidazolidin-1-yl]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 160965870
6-(3-but-3-yn-2-yl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 157498724
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 159808982
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(3-methyl-2-oxoimidazol-1-yl)pyridazine-3-carboxamide
CID 162120099
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(pyridin-2-ylsulfonylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157021012
6-[(3-ethenyloxetan-3-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 154662995

Frequently Asked Questions

What is the IUPAC name of sodium;6-(3-acetyl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(2-oxoimidazolidin-1-yl)-N-(trideuteriomethyl)pyridazine-3-carboxamide;hydroxide?
The IUPAC name of sodium;6-(3-acetyl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(2-oxoimidazolidin-1-yl)-N-(trideuteriomethyl)pyridazine-3-carboxamide;hydroxide (CID 158343159) is sodium;6-(3-acetyl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(2-oxoimidazolidin-1-yl)-N-(trideuteriomethyl)pyridazine-3-carboxamide;hydroxide.
What is the SMILES notation for sodium;6-(3-acetyl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(2-oxoimidazolidin-1-yl)-N-(trideuteriomethyl)pyridazine-3-carboxamide;hydroxide?
The canonical SMILES for sodium;6-(3-acetyl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(2-oxoimidazolidin-1-yl)-N-(trideuteriomethyl)pyridazine-3-carboxamide;hydroxide is [2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1cccc(-c2ncn(C)n2)c1OC.[2H]C([2H])([2H])NC(=O)c1nnc(N2CCN(C(C)=O)C2=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC.[2H]C([2H])([2H])NC(=O)c1nnc(N2CCNC2=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC.[Na+].[OH-].
What is the InChIKey of sodium;6-(3-acetyl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(2-oxoimidazolidin-1-yl)-N-(trideuteriomethyl)pyridazine-3-carboxamide;hydroxide?
The InChIKey is GRKAXVQOYKXJIG-GQWMACQESA-M. The full InChI is InChI=1S/C21H23N9O4.C19H21N9O3.C16H16ClN7O2.Na.H2O/c1-12(31)29-8-9-30(21(29)33)16-10-15(17(26-25-16)20(32)22-2)24-14-7-5-6-13(18(14)34-4)19-23-11-28(3)27-19;1-20-18(29)15-13(9-14(24-25-15)28-8-7-21-19(28)30)23-12-6-4-5-11(16(12)31-3)17-22-10-27(2)26-17;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;;/h5-7,10-11H,8-9H2,1-4H3,(H,22,32)(H,24,25);4-6,9-10H,7-8H2,1-3H3,(H,20,29)(H,21,30)(H,23,24);4-8H,1-3H3,(H,18,25)(H,20,21);;1H2/q;;;+1;/p-1/i2D3;2*1D3;;.
What are the key properties of sodium;6-(3-acetyl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(2-oxoimidazolidin-1-yl)-N-(trideuteriomethyl)pyridazine-3-carboxamide;hydroxide?
sodium;6-(3-acetyl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(2-oxoimidazolidin-1-yl)-N-(trideuteriomethyl)pyridazine-3-carboxamide;hydroxide has a molecular weight of 1311.77 g/mol, XLogP of 0.95, 20 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;6-(3-acetyl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(2-oxoimidazolidin-1-yl)-N-(trideuteriomethyl)pyridazine-3-carboxamide;hydroxide is sourced from PubChem (CID 158343159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).