lithium;azanide;6-chloro-4-[(6-fluoro-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,6-dimethylpyrimidin-4-amine;6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(6-fluoro-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-fluoro-3-methylsulfanylpyridin-2-amine;bis(trimethylsilane)

C54H73Cl3F3LiN22O5S2Si2 — CID 157277265

IUPAClithium;azanide;6-chloro-4-[(6-fluoro-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,6-dimethylpyrimidin-4-amine;6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(6-fluoro-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-fluoro-3-methylsulfanylpyridin-2-amine;bis(trimethylsilane)
SMILESCSc1ccc(F)nc1N.C[SiH](C)C.C[SiH](C)C.Cc1cc(N)nc(C)n1.[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Cl.[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1nc(F)ccc1C.[2H]C([2H])([2H])NC(=O)c1nnc(Nc2cc(C)nc(C)n2)cc1Nc1nc(F)ccc1S(C)(=O)=O.[Li+].[NH2-]
InChIInChI=1S/C18H19FN8O3S.C12H11ClFN5O.C6H5Cl2N3O.C6H7FN2S.C6H9N3.2C3H10Si.Li.H2N/c1-9-7-14(22-10(2)21-9)25-15-8-11(16(27-26-15)18(28)20-3)23-17-12(31(4,29)30)5-6-13(19)24-17;1-6-3-4-9(14)17-11(6)16-7-5-8(13)18-19-10(7)12(20)15-2;1-9-6(12)5-3(7)2-4(8)10-11-5;1-10-4-2-3-5(7)9-6(4)8;1-4-3-6(7)9-5(2)8-4;2*1-4(2)3;;/h5-8H,1-4H3,(H,20,28)(H2,21,22,23,24,25,26);3-5H,1-2H3,(H,15,20)(H,16,17,18);2H,1H3,(H,9,12);2-3H,1H3,(H2,8,9);3H,1-2H3,(H2,7,8,9);2*4H,1-3H3;;1H2/q;;;;;;;+1;-1/i3D3;2D3;1D3;;;;;;
InChIKeyAZGFNIHRIPIZGN-JJBKBUORSA-N
MW1409.98 g/mol
LogP7.01
Rot. Bonds14

About lithium;azanide;6-chloro-4-[(6-fluoro-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,6-dimethylpyrimidin-4-amine;6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(6-fluoro-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-fluoro-3-methylsulfanylpyridin-2-amine;bis(trimethylsilane)

lithium;azanide;6-chloro-4-[(6-fluoro-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,6-dimethylpyrimidin-4-amine;6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(6-fluoro-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-fluoro-3-methylsulfanylpyridin-2-amine;bis(trimethylsilane) (PubChem CID 157277265) has the molecular formula C54H73Cl3F3LiN22O5S2Si2 and a molecular weight of 1409.98 g/mol. Its IUPAC name is lithium;azanide;6-chloro-4-[(6-fluoro-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,6-dimethylpyrimidin-4-amine;6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(6-fluoro-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-fluoro-3-methylsulfanylpyridin-2-amine;bis(trimethylsilane).

Molecular Properties

Compound Namelithium;azanide;6-chloro-4-[(6-fluoro-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,6-dimethylpyrimidin-4-amine;6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(6-fluoro-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-fluoro-3-methylsulfanylpyridin-2-amine;bis(trimethylsilane)
PubChem CID157277265
Molecular FormulaC54H73Cl3F3LiN22O5S2Si2
Molecular Weight1409.98 g/mol
Exact Mass1407.49
IUPAC Namelithium;azanide;6-chloro-4-[(6-fluoro-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,6-dimethylpyrimidin-4-amine;6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(6-fluoro-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-fluoro-3-methylsulfanylpyridin-2-amine;bis(trimethylsilane)
SMILESCSc1ccc(F)nc1N.C[SiH](C)C.C[SiH](C)C.Cc1cc(N)nc(C)n1.[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Cl.[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1nc(F)ccc1C.[2H]C([2H])([2H])NC(=O)c1nnc(Nc2cc(C)nc(C)n2)cc1Nc1nc(F)ccc1S(C)(=O)=O.[Li+].[NH2-]
InChIInChI=1S/C18H19FN8O3S.C12H11ClFN5O.C6H5Cl2N3O.C6H7FN2S.C6H9N3.2C3H10Si.Li.H2N/c1-9-7-14(22-10(2)21-9)25-15-8-11(16(27-26-15)18(28)20-3)23-17-12(31(4,29)30)5-6-13(19)24-17;1-6-3-4-9(14)17-11(6)16-7-5-8(13)18-19-10(7)12(20)15-2;1-9-6(12)5-3(7)2-4(8)10-11-5;1-10-4-2-3-5(7)9-6(4)8;1-4-3-6(7)9-5(2)8-4;2*1-4(2)3;;/h5-8H,1-4H3,(H,20,28)(H2,21,22,23,24,25,26);3-5H,1-2H3,(H,15,20)(H,16,17,18);2H,1H3,(H,9,12);2-3H,1H3,(H2,8,9);3H,1-2H3,(H2,7,8,9);2*4H,1-3H3;;1H2/q;;;;;;;+1;-1/i3D3;2D3;1D3;;;;;;
InChIKeyAZGFNIHRIPIZGN-JJBKBUORSA-N
XLogP7.01
TPSA410.64 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001409.98
LogP ≤ 57.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze lithium;azanide;6-chloro-4-[(6-fluoro-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,6-dimethylpyrimidin-4-amine;6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(6-fluoro-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-fluoro-3-methylsulfanylpyridin-2-amine;bis(trimethylsilane) with MolForge

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Related Compounds

6-chloro-4-[(3,6-dimethyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 161261168
6-[(6-methoxypyridazin-3-yl)amino]-4-[(6-methyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 138620489
6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;5-methylpyridin-2-amine
CID 159860535
6-amino-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 138620470
4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 138911330
lithium;bis(trimethylsilyl)azanide;6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridine-3-carboxamide;3-methylsulfanylpyridin-2-amine;4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(5-phenyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;5-phenylpyridin-2-amine
CID 157326577
6-[(5-cyclopropylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 150986956
6-[[5-(methoxymethyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 151920579
[4-[3-[[6-[(2,6-dimethylpyrimidin-4-yl)amino]-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-2-methoxyphenyl]triazol-1-yl] 2,2-dimethylbutanoate
CID 150052628
N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(6-propan-2-ylpyridazin-3-yl)amino]pyridazine-3-carboxamide
CID 159503943
6-chloro-4-[(5-chloro-3-methylsulfanyl-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide
CID 174178154
6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 157463237

Frequently Asked Questions

What is the IUPAC name of lithium;azanide;6-chloro-4-[(6-fluoro-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,6-dimethylpyrimidin-4-amine;6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(6-fluoro-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-fluoro-3-methylsulfanylpyridin-2-amine;bis(trimethylsilane)?
The IUPAC name of lithium;azanide;6-chloro-4-[(6-fluoro-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,6-dimethylpyrimidin-4-amine;6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(6-fluoro-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-fluoro-3-methylsulfanylpyridin-2-amine;bis(trimethylsilane) (CID 157277265) is lithium;azanide;6-chloro-4-[(6-fluoro-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,6-dimethylpyrimidin-4-amine;6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(6-fluoro-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-fluoro-3-methylsulfanylpyridin-2-amine;bis(trimethylsilane).
What is the SMILES notation for lithium;azanide;6-chloro-4-[(6-fluoro-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,6-dimethylpyrimidin-4-amine;6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(6-fluoro-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-fluoro-3-methylsulfanylpyridin-2-amine;bis(trimethylsilane)?
The canonical SMILES for lithium;azanide;6-chloro-4-[(6-fluoro-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,6-dimethylpyrimidin-4-amine;6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(6-fluoro-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-fluoro-3-methylsulfanylpyridin-2-amine;bis(trimethylsilane) is CSc1ccc(F)nc1N.C[SiH](C)C.C[SiH](C)C.Cc1cc(N)nc(C)n1.[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Cl.[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1nc(F)ccc1C.[2H]C([2H])([2H])NC(=O)c1nnc(Nc2cc(C)nc(C)n2)cc1Nc1nc(F)ccc1S(C)(=O)=O.[Li+].[NH2-].
What is the InChIKey of lithium;azanide;6-chloro-4-[(6-fluoro-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,6-dimethylpyrimidin-4-amine;6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(6-fluoro-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-fluoro-3-methylsulfanylpyridin-2-amine;bis(trimethylsilane)?
The InChIKey is AZGFNIHRIPIZGN-JJBKBUORSA-N. The full InChI is InChI=1S/C18H19FN8O3S.C12H11ClFN5O.C6H5Cl2N3O.C6H7FN2S.C6H9N3.2C3H10Si.Li.H2N/c1-9-7-14(22-10(2)21-9)25-15-8-11(16(27-26-15)18(28)20-3)23-17-12(31(4,29)30)5-6-13(19)24-17;1-6-3-4-9(14)17-11(6)16-7-5-8(13)18-19-10(7)12(20)15-2;1-9-6(12)5-3(7)2-4(8)10-11-5;1-10-4-2-3-5(7)9-6(4)8;1-4-3-6(7)9-5(2)8-4;2*1-4(2)3;;/h5-8H,1-4H3,(H,20,28)(H2,21,22,23,24,25,26);3-5H,1-2H3,(H,15,20)(H,16,17,18);2H,1H3,(H,9,12);2-3H,1H3,(H2,8,9);3H,1-2H3,(H2,7,8,9);2*4H,1-3H3;;1H2/q;;;;;;;+1;-1/i3D3;2D3;1D3;;;;;;.
What are the key properties of lithium;azanide;6-chloro-4-[(6-fluoro-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,6-dimethylpyrimidin-4-amine;6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(6-fluoro-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-fluoro-3-methylsulfanylpyridin-2-amine;bis(trimethylsilane)?
lithium;azanide;6-chloro-4-[(6-fluoro-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,6-dimethylpyrimidin-4-amine;6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(6-fluoro-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-fluoro-3-methylsulfanylpyridin-2-amine;bis(trimethylsilane) has a molecular weight of 1409.98 g/mol, XLogP of 7.01, 14 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;azanide;6-chloro-4-[(6-fluoro-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,6-dimethylpyrimidin-4-amine;6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(6-fluoro-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-fluoro-3-methylsulfanylpyridin-2-amine;bis(trimethylsilane) is sourced from PubChem (CID 157277265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).