magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methane;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide

C131H141BBrCl12F6MgN25O17S2 — CID 158053782

IUPACmagnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methane;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide
SMILESC.C.C.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncncc1C(=O)NC[C@H](C)O.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncncc1C(=O)OC.CC(C)(O)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.CC(C)(O)c1cnc(Cl)cc1Cl.CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncncc1C(=O)NC[C@H](C)O.COC(=O)c1cnc(Cl)cc1Cl.COC(=O)c1cncnc1N.C[C@H](O)CN.Nc1ncncc1C(=O)O.OB(O)c1cc(Cl)ccc1F.S.S.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C22H23ClFN5O2.C22H21ClFN5O2.C20H16ClFN4O2.C14H12Cl2FNO.C14H10Cl2FN.C8H9Cl2NO.C7H5Cl2NO2.C6H5BClFO2.C6H7N3O2.C5H5N3O2.C3H9NO.3CH4.CH3.BrH.Mg.2H2S/c2*1-12(2)16-10-26-19(15-6-14(23)4-5-18(15)24)7-20(16)29-21-17(9-25-11-28-21)22(31)27-8-13(3)30;1-11(2)14-9-24-17(13-6-12(21)4-5-16(13)22)7-18(14)26-19-15(20(27)28-3)8-23-10-25-19;1-14(2,19)10-7-18-13(6-11(10)16)9-5-8(15)3-4-12(9)17;1-8(2)11-7-18-14(6-12(11)16)10-5-9(15)3-4-13(10)17;1-8(2,12)5-4-11-7(10)3-6(5)9;1-12-7(11)4-3-10-6(9)2-5(4)8;8-4-1-2-6(9)5(3-4)7(10)11;1-11-6(10)4-2-8-3-9-5(4)7;6-4-3(5(9)10)1-7-2-8-4;1-3(5)2-4;;;;;;;;/h4-7,9-13,30H,8H2,1-3H3,(H,27,31)(H,25,26,28,29);4-7,9-11,13,30H,1,8H2,2-3H3,(H,27,31)(H,25,26,28,29);4-10H,1H2,2-3H3,(H,23,24,25,26);3-7,19H,1-2H3;3-7H,1H2,2H3;3-4,12H,1-2H3;2-3H,1H3;1-3,10-11H;2-3H,1H3,(H2,7,8,9);1-2H,(H,9,10)(H2,6,7,8);3,5H,2,4H2,1H3;3*1H4;1H3;1H;;2*1H2/q;;;;;;;;;;;;;;-1;;+2;;/p-1/t2*13-;;;;;;;;;3-;;;;;;;;/m00........0......../s1
InChIKeyKHXORIJRWHAPIF-QHFKTAPTSA-M
MW3056.31 g/mol
LogP26.16
Rot. Bonds29

About magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methane;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide

magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methane;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide (PubChem CID 158053782) has the molecular formula C131H141BBrCl12F6MgN25O17S2 and a molecular weight of 3056.31 g/mol. Its IUPAC name is magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methane;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide.

Molecular Properties

Compound Namemagnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methane;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide
PubChem CID158053782
Molecular FormulaC131H141BBrCl12F6MgN25O17S2
Molecular Weight3056.31 g/mol
Exact Mass3047.57
IUPAC Namemagnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methane;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide
SMILESC.C.C.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncncc1C(=O)NC[C@H](C)O.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncncc1C(=O)OC.CC(C)(O)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.CC(C)(O)c1cnc(Cl)cc1Cl.CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncncc1C(=O)NC[C@H](C)O.COC(=O)c1cnc(Cl)cc1Cl.COC(=O)c1cncnc1N.C[C@H](O)CN.Nc1ncncc1C(=O)O.OB(O)c1cc(Cl)ccc1F.S.S.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C22H23ClFN5O2.C22H21ClFN5O2.C20H16ClFN4O2.C14H12Cl2FNO.C14H10Cl2FN.C8H9Cl2NO.C7H5Cl2NO2.C6H5BClFO2.C6H7N3O2.C5H5N3O2.C3H9NO.3CH4.CH3.BrH.Mg.2H2S/c2*1-12(2)16-10-26-19(15-6-14(23)4-5-18(15)24)7-20(16)29-21-17(9-25-11-28-21)22(31)27-8-13(3)30;1-11(2)14-9-24-17(13-6-12(21)4-5-16(13)22)7-18(14)26-19-15(20(27)28-3)8-23-10-25-19;1-14(2,19)10-7-18-13(6-11(10)16)9-5-8(15)3-4-12(9)17;1-8(2)11-7-18-14(6-12(11)16)10-5-9(15)3-4-13(10)17;1-8(2,12)5-4-11-7(10)3-6(5)9;1-12-7(11)4-3-10-6(9)2-5(4)8;8-4-1-2-6(9)5(3-4)7(10)11;1-11-6(10)4-2-8-3-9-5(4)7;6-4-3(5(9)10)1-7-2-8-4;1-3(5)2-4;;;;;;;;/h4-7,9-13,30H,8H2,1-3H3,(H,27,31)(H,25,26,28,29);4-7,9-11,13,30H,1,8H2,2-3H3,(H,27,31)(H,25,26,28,29);4-10H,1H2,2-3H3,(H,23,24,25,26);3-7,19H,1-2H3;3-7H,1H2,2H3;3-4,12H,1-2H3;2-3H,1H3;1-3,10-11H;2-3H,1H3,(H2,7,8,9);1-2H,(H,9,10)(H2,6,7,8);3,5H,2,4H2,1H3;3*1H4;1H3;1H;;2*1H2/q;;;;;;;;;;;;;;-1;;+2;;/p-1/t2*13-;;;;;;;;;3-;;;;;;;;/m00........0......../s1
InChIKeyKHXORIJRWHAPIF-QHFKTAPTSA-M
XLogP26.16
TPSA649.29 Ų
H-Bond Donors16
H-Bond Acceptors39
Rotatable Bonds29
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003056.31
LogP ≤ 526.16
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methane;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide with MolForge

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Related Compounds

(2S)-1-aminopropan-2-ol;(4S)-1-(4-amino-3-pyridinyl)-4-hydroxypentan-1-one;4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine;(5-chlorocyclohexa-1,3,5-trien-1-yl)boronic acid;4-[[2-(3-chlorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;2,4-dichloro-5-prop-1-en-2-ylpyridine;methyl 4-aminopyridine-3-carboxylate
CID 157119919
4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;bis(4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid);cyclopropanamine;methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 157269846
(2S)-1-aminopropan-2-ol;(4S)-1-(4-amino-3-pyridinyl)-4-hydroxypentan-1-one;4-chloro-2-(4-fluorophenyl)-5-prop-1-en-2-ylpyridine;2,4-dichloro-5-prop-1-en-2-ylpyridine;(4-fluorophenyl)boronic acid;4-[[2-(4-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;methyl 4-aminopyridine-3-carboxylate
CID 157478587
(2S)-1-aminopropan-2-ol;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-2,3-dihydropyridin-3-yl]propan-2-ol;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate
CID 157479490
4-chloro-2-(5-chloro-2-fluorophenyl)-N,N-dimethylpyrimidin-5-amine;2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-1H-pyrimidin-6-one;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate;methyl 2-(dimethylamino)acetate
CID 158038858
(2S)-1-aminopropan-2-ol;(4S)-1-(4-amino-3-pyridinyl)-4-hydroxypentan-1-one;4-chloro-2-(4-fluorophenyl)-5-prop-1-en-2-ylpyridine;2,4-dichloro-5-prop-1-en-2-ylpyridine;(4-fluorophenyl)boronic acid;4-[[2-(4-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;methane;methyl 4-aminopyridine-3-carboxylate
CID 158151455
(2S)-1-aminopropan-2-ol;tert-butyl 2-(4,6-dichloro-3-pyridinyl)acetate;4-chloro-6-(5-chloro-2-fluorophenyl)-N,N-dimethylpyridin-3-amine;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4,6-dichloro-N,N-dimethylpyridin-3-amine;4,6-dichloropyridin-3-amine;4,6-dichloropyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane
CID 158251400
(2S)-1-aminopropan-2-ol;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate
CID 158298917
7-Chloro-3-(2,6-difluorophenyl)-1-propan-2-yl-1,6-naphthyridin-2-one;6-chloro-4-(propan-2-ylamino)pyridine-3-carbaldehyde;[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]methanol;3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-propan-2-yl-1,6-naphthyridin-2-one;ethyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 2-(2,6-difluorophenyl)acetate;propan-2-amine
CID 158324007
4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate
CID 158572932
1-aminopropan-2-ol;4-aminopyridine-3-carboxylic acid;2-bromo-4-chloro-1-fluorobenzene;4-chloro-2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)pyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylic acid;4-chloropyridine-3-carboxylic acid;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;tripropan-2-yl borate
CID 158590778
(2S)-1-aminopropan-2-ol;(4S)-1-(4-amino-3-pyridinyl)-4-hydroxypentan-1-one;4-chloro-2-(2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2,4-dichloro-5-prop-1-en-2-ylpyridine;(2-fluorophenyl)boronic acid;4-[[2-(2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;methane;methyl 4-aminopyridine-3-carboxylate
CID 158598371

Frequently Asked Questions

What is the IUPAC name of magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methane;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide?
The IUPAC name of magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methane;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide (CID 158053782) is magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methane;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide.
What is the SMILES notation for magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methane;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide?
The canonical SMILES for magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methane;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide is C.C.C.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncncc1C(=O)NC[C@H](C)O.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncncc1C(=O)OC.CC(C)(O)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.CC(C)(O)c1cnc(Cl)cc1Cl.CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncncc1C(=O)NC[C@H](C)O.COC(=O)c1cnc(Cl)cc1Cl.COC(=O)c1cncnc1N.C[C@H](O)CN.Nc1ncncc1C(=O)O.OB(O)c1cc(Cl)ccc1F.S.S.[Br-].[CH3-].[Mg+2].
What is the InChIKey of magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methane;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide?
The InChIKey is KHXORIJRWHAPIF-QHFKTAPTSA-M. The full InChI is InChI=1S/C22H23ClFN5O2.C22H21ClFN5O2.C20H16ClFN4O2.C14H12Cl2FNO.C14H10Cl2FN.C8H9Cl2NO.C7H5Cl2NO2.C6H5BClFO2.C6H7N3O2.C5H5N3O2.C3H9NO.3CH4.CH3.BrH.Mg.2H2S/c2*1-12(2)16-10-26-19(15-6-14(23)4-5-18(15)24)7-20(16)29-21-17(9-25-11-28-21)22(31)27-8-13(3)30;1-11(2)14-9-24-17(13-6-12(21)4-5-16(13)22)7-18(14)26-19-15(20(27)28-3)8-23-10-25-19;1-14(2,19)10-7-18-13(6-11(10)16)9-5-8(15)3-4-12(9)17;1-8(2)11-7-18-14(6-12(11)16)10-5-9(15)3-4-13(10)17;1-8(2,12)5-4-11-7(10)3-6(5)9;1-12-7(11)4-3-10-6(9)2-5(4)8;8-4-1-2-6(9)5(3-4)7(10)11;1-11-6(10)4-2-8-3-9-5(4)7;6-4-3(5(9)10)1-7-2-8-4;1-3(5)2-4;;;;;;;;/h4-7,9-13,30H,8H2,1-3H3,(H,27,31)(H,25,26,28,29);4-7,9-11,13,30H,1,8H2,2-3H3,(H,27,31)(H,25,26,28,29);4-10H,1H2,2-3H3,(H,23,24,25,26);3-7,19H,1-2H3;3-7H,1H2,2H3;3-4,12H,1-2H3;2-3H,1H3;1-3,10-11H;2-3H,1H3,(H2,7,8,9);1-2H,(H,9,10)(H2,6,7,8);3,5H,2,4H2,1H3;3*1H4;1H3;1H;;2*1H2/q;;;;;;;;;;;;;;-1;;+2;;/p-1/t2*13-;;;;;;;;;3-;;;;;;;;/m00........0......../s1.
What are the key properties of magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methane;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide?
magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methane;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide has a molecular weight of 3056.31 g/mol, XLogP of 26.16, 29 rotatable bonds, 16 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methane;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide is sourced from PubChem (CID 158053782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).