C197H213BCl18F8K3N34NaO43P2S2 — CID 160709606
potassium;sodium;2-[2-amino-4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;4-[[2-amino-6-(5-chloro-2-fluorophenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4-[[2-amino-6-(5-chloro-2-fluorophenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid;2-(2-amino-4,6-dichloro-3-pyridinyl)propan-2-ol;(2S)-1-aminopropan-2-ol;tert-butyl N-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-prop-1-en-2-yl-2-pyridinyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4-chloro-6-(5-chloro-2-fluorophenyl)-3-prop-1-en-2-ylpyridin-2-amine;(5-chloro-2-fluorophenyl)boronic acid;4-[[6-(5-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid;cyanamide;dimethyl 3-oxopentanedioate;methyl 2-amino-4,6-dichloropyridine-3-carboxylate;methyl 2-amino-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[6-(5-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;oxido-oxidooxy-oxophosphanium;phosphoryl trichloride;potassiopotassium;sulfane;hydroxide (PubChem CID 160709606) has the molecular formula C197H213BCl18F8K3N34NaO43P2S2 and a molecular weight of 4812.38 g/mol. Its IUPAC name is potassium;sodium;2-[2-amino-4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;4-[[2-amino-6-(5-chloro-2-fluorophenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4-[[2-amino-6-(5-chloro-2-fluorophenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid;2-(2-amino-4,6-dichloro-3-pyridinyl)propan-2-ol;(2S)-1-aminopropan-2-ol;tert-butyl N-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-prop-1-en-2-yl-2-pyridinyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4-chloro-6-(5-chloro-2-fluorophenyl)-3-prop-1-en-2-ylpyridin-2-amine;(5-chloro-2-fluorophenyl)boronic acid;4-[[6-(5-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid;cyanamide;dimethyl 3-oxopentanedioate;methyl 2-amino-4,6-dichloropyridine-3-carboxylate;methyl 2-amino-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[6-(5-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;oxido-oxidooxy-oxophosphanium;phosphoryl trichloride;potassiopotassium;sulfane;hydroxide.
| Compound Name | potassium;sodium;2-[2-amino-4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;4-[[2-amino-6-(5-chloro-2-fluorophenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4-[[2-amino-6-(5-chloro-2-fluorophenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid;2-(2-amino-4,6-dichloro-3-pyridinyl)propan-2-ol;(2S)-1-aminopropan-2-ol;tert-butyl N-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-prop-1-en-2-yl-2-pyridinyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4-chloro-6-(5-chloro-2-fluorophenyl)-3-prop-1-en-2-ylpyridin-2-amine;(5-chloro-2-fluorophenyl)boronic acid;4-[[6-(5-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid;cyanamide;dimethyl 3-oxopentanedioate;methyl 2-amino-4,6-dichloropyridine-3-carboxylate;methyl 2-amino-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[6-(5-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;oxido-oxidooxy-oxophosphanium;phosphoryl trichloride;potassiopotassium;sulfane;hydroxide |
|---|---|
| PubChem CID | 160709606 |
| Molecular Formula | C197H213BCl18F8K3N34NaO43P2S2 |
| Molecular Weight | 4812.38 g/mol |
| Exact Mass | 4800.76 |
| IUPAC Name | potassium;sodium;2-[2-amino-4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;4-[[2-amino-6-(5-chloro-2-fluorophenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4-[[2-amino-6-(5-chloro-2-fluorophenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid;2-(2-amino-4,6-dichloro-3-pyridinyl)propan-2-ol;(2S)-1-aminopropan-2-ol;tert-butyl N-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-prop-1-en-2-yl-2-pyridinyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4-chloro-6-(5-chloro-2-fluorophenyl)-3-prop-1-en-2-ylpyridin-2-amine;(5-chloro-2-fluorophenyl)boronic acid;4-[[6-(5-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid;cyanamide;dimethyl 3-oxopentanedioate;methyl 2-amino-4,6-dichloropyridine-3-carboxylate;methyl 2-amino-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[6-(5-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;oxido-oxidooxy-oxophosphanium;phosphoryl trichloride;potassiopotassium;sulfane;hydroxide |
| SMILES | C=C(C)c1c(Cl)cc(-c2cc(Cl)ccc2F)nc1N.C=C(C)c1c(Cl)cc(-c2cc(Cl)ccc2F)nc1NC(=O)OC(C)(C)C.C=C(C)c1c(Nc2ccncc2C(=O)NC[C@H](C)O)cc(-c2cc(Cl)ccc2F)nc1N.C=C(C)c1c(Nc2ccncc2C(=O)O)cc(-c2cc(Cl)ccc2F)nc1N.C=C(C)c1c(Nc2ccncc2C(=O)O)cc(-c2cc(Cl)ccc2F)nc1NC(=O)OC(C)(C)C.C=C(C)c1c(Nc2ccncc2C(=O)OC)cc(-c2cc(Cl)ccc2F)nc1NC(=O)OC(C)(C)C.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)(O)c1c(Cl)cc(-c2cc(Cl)ccc2F)nc1N.CC(C)(O)c1c(Cl)cc(Cl)nc1N.COC(=O)CC(=O)CC(=O)OC.COC(=O)c1c(Cl)cc(Cl)nc1N.COC(=O)c1c(O)cc(=O)[nH]c1N.COC(=O)c1cnccc1N.C[C@H](O)CN.N#CN.O=P(Cl)(Cl)Cl.O=[P+]([O-])O[O-].OB(O)c1cc(Cl)ccc1F.S.S.[K+].[K][K].[Na+].[OH-] |
| InChI | InChI=1S/C26H26ClFN4O4.C25H24ClFN4O4.C23H23ClFN5O2.C20H16ClFN4O2.C19H19Cl2FN2O2.C14H13Cl2FN2O.C14H11Cl2FN2.C10H18O5.C8H10Cl2N2O.C7H6Cl2N2O2.C7H8N2O4.C7H8N2O2.C7H10O5.C6H5BClFO2.C3H9NO.CH2N2.Cl3OP.3K.Na.HO4P.H2O.2H2S/c1-14(2)22-21(30-19-9-10-29-13-17(19)24(33)35-6)12-20(16-11-15(27)7-8-18(16)28)31-23(22)32-25(34)36-26(3,4)5;1-13(2)21-20(29-18-8-9-28-12-16(18)23(32)33)11-19(15-10-14(26)6-7-17(15)27)30-22(21)31-24(34)35-25(3,4)5;1-12(2)21-20(9-19(30-22(21)26)15-8-14(24)4-5-17(15)25)29-18-6-7-27-11-16(18)23(32)28-10-13(3)31;1-10(2)18-17(25-15-5-6-24-9-13(15)20(27)28)8-16(26-19(18)23)12-7-11(21)3-4-14(12)22;1-10(2)16-13(21)9-15(12-8-11(20)6-7-14(12)22)23-17(16)24-18(25)26-19(3,4)5;1-14(2,20)12-9(16)6-11(19-13(12)18)8-5-7(15)3-4-10(8)17;1-7(2)13-10(16)6-12(19-14(13)18)9-5-8(15)3-4-11(9)17;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-8(2,13)6-4(9)3-5(10)12-7(6)11;1-13-7(12)5-3(8)2-4(9)11-6(5)10;1-13-7(12)5-3(10)2-4(11)9-6(5)8;1-11-7(10)5-4-9-3-2-6(5)8;1-11-6(9)3-5(8)4-7(10)12-2;8-4-1-2-6(9)5(3-4)7(10)11;1-3(5)2-4;2-1-3;1-5(2,3)4;;;;;1-4-5(2)3;;;/h7-13H,1H2,2-6H3,(H2,29,30,31,32,34);6-12H,1H2,2-5H3,(H,32,33)(H2,28,29,30,31,34);4-9,11,13,31H,1,10H2,2-3H3,(H,28,32)(H3,26,27,29,30);3-9H,1H2,2H3,(H,27,28)(H3,23,24,25,26);6-9H,1H2,2-5H3,(H,23,24,25);3-6,20H,1-2H3,(H2,18,19);3-6H,1H2,2H3,(H2,18,19);1-6H3;3,13H,1-2H3,(H2,11,12);2H,1H3,(H2,10,11);2H,1H3,(H4,8,9,10,11);2-4H,1H3,(H2,8,9);3-4H2,1-2H3;1-3,10-11H;3,5H,2,4H2,1H3;2H2;;;;;;1H;3*1H2/q;;;;;;;;;;;;;;;;;;;2*+1;;;;/p-2/t;;13-;;;;;;;;;;;;3-;;;;;;;;;;/m..0...........0........../s1 |
| InChIKey | RRRIOTPOTGSRRH-PVGDDEJISA-L |
| XLogP | 38.11 |
| TPSA | 1261.92 Ų |
| H-Bond Donors | 28 |
| H-Bond Acceptors | 70 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 309 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4812.38 |
| LogP ≤ 5 | 38.11 |
| H-Bond Donors ≤ 5 | 28 |
| H-Bond Acceptors ≤ 10 | 70 |