lithium;2-(6-amino-4-chloro-3-pyridinyl)propan-2-ol;bis(trimethylsilyl)azanide;6-chloro-4-[(6-cyclopropyl-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[[4-chloro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(6-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-cyclopropyl-3-methylsulfanylpyridin-2-amine;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide

C67H88Cl5LiN20O7S2Si2 — CID 157413359

IUPAClithium;2-(6-amino-4-chloro-3-pyridinyl)propan-2-ol;bis(trimethylsilyl)azanide;6-chloro-4-[(6-cyclopropyl-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[[4-chloro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(6-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-cyclopropyl-3-methylsulfanylpyridin-2-amine;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILESCC(C)(O)c1cnc(N)cc1Cl.CSc1ccc(C2CC2)nc1N.C[Si](C)(C)[N-][Si](C)(C)C.[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Cl.[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1nc(C2CC2)ccc1C.[2H]C([2H])([2H])NC(=O)c1nnc(Nc2cc(Cl)c(C(C)(C)O)cn2)cc1Nc1nc(C2CC2)ccc1S(C)(=O)=O.[Li+]
InChIInChI=1S/C23H26ClN7O4S.C15H16ClN5O.C9H12N2S.C8H11ClN2O.C6H5Cl2N3O.C6H18NSi2.Li/c1-23(2,33)13-11-26-18(9-14(13)24)29-19-10-16(20(31-30-19)22(32)25-3)28-21-17(36(4,34)35)8-7-15(27-21)12-5-6-12;1-8-3-6-10(9-4-5-9)18-14(8)19-11-7-12(16)20-21-13(11)15(22)17-2;1-12-8-5-4-7(6-2-3-6)11-9(8)10;1-8(2,12)5-4-11-7(10)3-6(5)9;1-9-6(12)5-3(7)2-4(8)10-11-5;1-8(2,3)7-9(4,5)6;/h7-12,33H,5-6H2,1-4H3,(H,25,32)(H2,26,27,28,29,30);3,6-7,9H,4-5H2,1-2H3,(H,17,22)(H,18,19,20);4-6H,2-3H2,1H3,(H2,10,11);3-4,12H,1-2H3,(H2,10,11);2H,1H3,(H,9,12);1-6H3;/q;;;;;-1;+1/i3D3;2D3;;;1D3;;
InChIKeyBONYYVVJAIYXQU-HWFKRDJFSA-N
MW1599.14 g/mol
LogP11.07
Rot. Bonds21

About lithium;2-(6-amino-4-chloro-3-pyridinyl)propan-2-ol;bis(trimethylsilyl)azanide;6-chloro-4-[(6-cyclopropyl-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[[4-chloro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(6-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-cyclopropyl-3-methylsulfanylpyridin-2-amine;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide

lithium;2-(6-amino-4-chloro-3-pyridinyl)propan-2-ol;bis(trimethylsilyl)azanide;6-chloro-4-[(6-cyclopropyl-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[[4-chloro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(6-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-cyclopropyl-3-methylsulfanylpyridin-2-amine;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 157413359) has the molecular formula C67H88Cl5LiN20O7S2Si2 and a molecular weight of 1599.14 g/mol. Its IUPAC name is lithium;2-(6-amino-4-chloro-3-pyridinyl)propan-2-ol;bis(trimethylsilyl)azanide;6-chloro-4-[(6-cyclopropyl-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[[4-chloro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(6-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-cyclopropyl-3-methylsulfanylpyridin-2-amine;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Namelithium;2-(6-amino-4-chloro-3-pyridinyl)propan-2-ol;bis(trimethylsilyl)azanide;6-chloro-4-[(6-cyclopropyl-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[[4-chloro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(6-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-cyclopropyl-3-methylsulfanylpyridin-2-amine;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID157413359
Molecular FormulaC67H88Cl5LiN20O7S2Si2
Molecular Weight1599.14 g/mol
Exact Mass1595.53
IUPAC Namelithium;2-(6-amino-4-chloro-3-pyridinyl)propan-2-ol;bis(trimethylsilyl)azanide;6-chloro-4-[(6-cyclopropyl-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[[4-chloro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(6-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-cyclopropyl-3-methylsulfanylpyridin-2-amine;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILESCC(C)(O)c1cnc(N)cc1Cl.CSc1ccc(C2CC2)nc1N.C[Si](C)(C)[N-][Si](C)(C)C.[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Cl.[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1nc(C2CC2)ccc1C.[2H]C([2H])([2H])NC(=O)c1nnc(Nc2cc(Cl)c(C(C)(C)O)cn2)cc1Nc1nc(C2CC2)ccc1S(C)(=O)=O.[Li+]
InChIInChI=1S/C23H26ClN7O4S.C15H16ClN5O.C9H12N2S.C8H11ClN2O.C6H5Cl2N3O.C6H18NSi2.Li/c1-23(2,33)13-11-26-18(9-14(13)24)29-19-10-16(20(31-30-19)22(32)25-3)28-21-17(36(4,34)35)8-7-15(27-21)12-5-6-12;1-8-3-6-10(9-4-5-9)18-14(8)19-11-7-12(16)20-21-13(11)15(22)17-2;1-12-8-5-4-7(6-2-3-6)11-9(8)10;1-8(2,12)5-4-11-7(10)3-6(5)9;1-9-6(12)5-3(7)2-4(8)10-11-5;1-8(2,3)7-9(4,5)6;/h7-12,33H,5-6H2,1-4H3,(H,25,32)(H2,26,27,28,29,30);3,6-7,9H,4-5H2,1-2H3,(H,17,22)(H,18,19,20);4-6H,2-3H2,1H3,(H2,10,11);3-4,12H,1-2H3,(H2,10,11);2H,1H3,(H,9,12);1-6H3;/q;;;;;-1;+1/i3D3;2D3;;;1D3;;
InChIKeyBONYYVVJAIYXQU-HWFKRDJFSA-N
XLogP11.07
TPSA405.92 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001599.14
LogP ≤ 511.07
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze lithium;2-(6-amino-4-chloro-3-pyridinyl)propan-2-ol;bis(trimethylsilyl)azanide;6-chloro-4-[(6-cyclopropyl-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[[4-chloro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(6-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-cyclopropyl-3-methylsulfanylpyridin-2-amine;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;2-(6-amino-4-chloro-3-pyridinyl)propan-2-ol;bis(trimethylsilyl)azanide;6-chloro-4-[(6-cyclopropyl-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[[4-chloro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(6-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-cyclopropyl-3-methylsulfanylpyridin-2-amine;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of lithium;2-(6-amino-4-chloro-3-pyridinyl)propan-2-ol;bis(trimethylsilyl)azanide;6-chloro-4-[(6-cyclopropyl-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[[4-chloro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(6-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-cyclopropyl-3-methylsulfanylpyridin-2-amine;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 157413359) is lithium;2-(6-amino-4-chloro-3-pyridinyl)propan-2-ol;bis(trimethylsilyl)azanide;6-chloro-4-[(6-cyclopropyl-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[[4-chloro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(6-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-cyclopropyl-3-methylsulfanylpyridin-2-amine;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for lithium;2-(6-amino-4-chloro-3-pyridinyl)propan-2-ol;bis(trimethylsilyl)azanide;6-chloro-4-[(6-cyclopropyl-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[[4-chloro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(6-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-cyclopropyl-3-methylsulfanylpyridin-2-amine;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for lithium;2-(6-amino-4-chloro-3-pyridinyl)propan-2-ol;bis(trimethylsilyl)azanide;6-chloro-4-[(6-cyclopropyl-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[[4-chloro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(6-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-cyclopropyl-3-methylsulfanylpyridin-2-amine;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide is CC(C)(O)c1cnc(N)cc1Cl.CSc1ccc(C2CC2)nc1N.C[Si](C)(C)[N-][Si](C)(C)C.[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Cl.[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1nc(C2CC2)ccc1C.[2H]C([2H])([2H])NC(=O)c1nnc(Nc2cc(Cl)c(C(C)(C)O)cn2)cc1Nc1nc(C2CC2)ccc1S(C)(=O)=O.[Li+].
What is the InChIKey of lithium;2-(6-amino-4-chloro-3-pyridinyl)propan-2-ol;bis(trimethylsilyl)azanide;6-chloro-4-[(6-cyclopropyl-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[[4-chloro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(6-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-cyclopropyl-3-methylsulfanylpyridin-2-amine;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is BONYYVVJAIYXQU-HWFKRDJFSA-N. The full InChI is InChI=1S/C23H26ClN7O4S.C15H16ClN5O.C9H12N2S.C8H11ClN2O.C6H5Cl2N3O.C6H18NSi2.Li/c1-23(2,33)13-11-26-18(9-14(13)24)29-19-10-16(20(31-30-19)22(32)25-3)28-21-17(36(4,34)35)8-7-15(27-21)12-5-6-12;1-8-3-6-10(9-4-5-9)18-14(8)19-11-7-12(16)20-21-13(11)15(22)17-2;1-12-8-5-4-7(6-2-3-6)11-9(8)10;1-8(2,12)5-4-11-7(10)3-6(5)9;1-9-6(12)5-3(7)2-4(8)10-11-5;1-8(2,3)7-9(4,5)6;/h7-12,33H,5-6H2,1-4H3,(H,25,32)(H2,26,27,28,29,30);3,6-7,9H,4-5H2,1-2H3,(H,17,22)(H,18,19,20);4-6H,2-3H2,1H3,(H2,10,11);3-4,12H,1-2H3,(H2,10,11);2H,1H3,(H,9,12);1-6H3;/q;;;;;-1;+1/i3D3;2D3;;;1D3;;.
What are the key properties of lithium;2-(6-amino-4-chloro-3-pyridinyl)propan-2-ol;bis(trimethylsilyl)azanide;6-chloro-4-[(6-cyclopropyl-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[[4-chloro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(6-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-cyclopropyl-3-methylsulfanylpyridin-2-amine;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide?
lithium;2-(6-amino-4-chloro-3-pyridinyl)propan-2-ol;bis(trimethylsilyl)azanide;6-chloro-4-[(6-cyclopropyl-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[[4-chloro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(6-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-cyclopropyl-3-methylsulfanylpyridin-2-amine;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 1599.14 g/mol, XLogP of 11.07, 21 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-(6-amino-4-chloro-3-pyridinyl)propan-2-ol;bis(trimethylsilyl)azanide;6-chloro-4-[(6-cyclopropyl-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[[4-chloro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(6-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-cyclopropyl-3-methylsulfanylpyridin-2-amine;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 157413359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).