lithium;1,3-dichloro-5-iodobenzene;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 8-bromo-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;methyl 3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;morpholine;sulfane;hydroxide;hydrate

C107H102BrCl8F15ILiN22O18S2 — CID 163509589

About lithium;1,3-dichloro-5-iodobenzene;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 8-bromo-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;methyl 3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;morpholine;sulfane;hydroxide;hydrate

lithium;1,3-dichloro-5-iodobenzene;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 8-bromo-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;methyl 3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;morpholine;sulfane;hydroxide;hydrate (PubChem CID 163509589) has the molecular formula C107H102BrCl8F15ILiN22O18S2 and a molecular weight of 2830.61 g/mol. Its IUPAC name is lithium;1,3-dichloro-5-iodobenzene;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 8-bromo-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;methyl 3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;morpholine;sulfane;hydroxide;hydrate.

Molecular Properties

• Compound Name: lithium;1,3-dichloro-5-iodobenzene;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 8-bromo-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;methyl 3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;morpholine;sulfane;hydroxide;hydrate
• PubChem CID: 163509589
• Molecular Formula: C107H102BrCl8F15ILiN22O18S2
• Molecular Weight: 2830.61 g/mol
• Exact Mass: 2824.28
• IUPAC Name: lithium;1,3-dichloro-5-iodobenzene;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 8-bromo-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;methyl 3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;morpholine;sulfane;hydroxide;hydrate
• SMILES: C1COCCN1.CCOC(=O)c1cnn2cc(C(F)(F)F)nc2c1Br.CCOC(=O)c1cnn2cc(C(F)(F)F)nc2c1N1CCOCC1.COC(=O)c1cnn2c(-c3cc(Cl)cc(Cl)c3)c(C(F)(F)F)nc2c1N1CCOCC1.Clc1cc(Cl)cc(I)c1.N[C@H]1CCOc2ccccc21.O.O=C(N[C@H]1CCOc2ccccc21)c1cnn2c(-c3cc(Cl)cc(Cl)c3)c(C(F)(F)F)nc2c1N1CCOCC1.O=C(O)c1cnn2c(-c3cc(Cl)cc(Cl)c3)c(C(F)(F)F)nc2c1N1CCOCC1.S.S.[Li+].[OH-]
• InChI: InChI=1S/C27H22Cl2F3N5O3.C19H15Cl2F3N4O3.C18H13Cl2F3N4O3.C14H15F3N4O3.C10H7BrF3N3O2.C9H11NO.C6H3Cl2I.C4H9NO.Li.2H2O.2H2S/c28-16-11-15(12-17(29)13-16)22-24(27(30,31)32)35-25-23(36-6-9-39-10-7-36)19(14-33-37(22)25)26(38)34-20-5-8-40-21-4-2-1-3-18(20)21;1-30-18(29)13-9-25-28-14(10-6-11(20)8-12(21)7-10)16(19(22,23)24)26-17(28)15(13)27-2-4-31-5-3-27;19-10-5-9(6-11(20)7-10)13-15(18(21,22)23)25-16-14(26-1-3-30-4-2-26)12(17(28)29)8-24-27(13)16;1-2-24-13(22)9-7-18-21-8-10(14(15,16)17)19-12(21)11(9)20-3-5-23-6-4-20;1-2-19-9(18)5-3-15-17-4-6(10(12,13)14)16-8(17)7(5)11;10-8-5-6-11-9-4-2-1-3-7(8)9;7-4-1-5(8)3-6(9)2-4;1-3-6-4-2-5-1;;;;;/h1-4,11-14,20H,5-10H2,(H,34,38);6-9H,2-5H2,1H3;5-8H,1-4H2,(H,28,29);7-8H,2-6H2,1H3;3-4H,2H2,1H3;1-4,8H,5-6,10H2;1-3H;5H,1-4H2;;4*1H2/q;;;;;;;;+1;;;;/p-1/t20-;;;;;8-;;;;;;;/m0....0......./s1
• InChIKey: WOZKIMIJCNHSQD-AMCXBVSPSA-M
• XLogP: 19.76
• TPSA: 473.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 15
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2830.61
LogP ≤ 5	19.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;1,3-dichloro-5-iodobenzene;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 8-bromo-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;methyl 3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;morpholine;sulfane;hydroxide;hydrate?

The IUPAC name of lithium;1,3-dichloro-5-iodobenzene;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 8-bromo-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;methyl 3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;morpholine;sulfane;hydroxide;hydrate (CID 163509589) is lithium;1,3-dichloro-5-iodobenzene;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 8-bromo-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;methyl 3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;morpholine;sulfane;hydroxide;hydrate.

What is the SMILES notation for lithium;1,3-dichloro-5-iodobenzene;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 8-bromo-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;methyl 3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;morpholine;sulfane;hydroxide;hydrate?

The canonical SMILES for lithium;1,3-dichloro-5-iodobenzene;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 8-bromo-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;methyl 3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;morpholine;sulfane;hydroxide;hydrate is C1COCCN1.CCOC(=O)c1cnn2cc(C(F)(F)F)nc2c1Br.CCOC(=O)c1cnn2cc(C(F)(F)F)nc2c1N1CCOCC1.COC(=O)c1cnn2c(-c3cc(Cl)cc(Cl)c3)c(C(F)(F)F)nc2c1N1CCOCC1.Clc1cc(Cl)cc(I)c1.N[C@H]1CCOc2ccccc21.O.O=C(N[C@H]1CCOc2ccccc21)c1cnn2c(-c3cc(Cl)cc(Cl)c3)c(C(F)(F)F)nc2c1N1CCOCC1.O=C(O)c1cnn2c(-c3cc(Cl)cc(Cl)c3)c(C(F)(F)F)nc2c1N1CCOCC1.S.S.[Li+].[OH-].

What is the InChIKey of lithium;1,3-dichloro-5-iodobenzene;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 8-bromo-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;methyl 3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;morpholine;sulfane;hydroxide;hydrate?

The InChIKey is WOZKIMIJCNHSQD-AMCXBVSPSA-M. The full InChI is InChI=1S/C27H22Cl2F3N5O3.C19H15Cl2F3N4O3.C18H13Cl2F3N4O3.C14H15F3N4O3.C10H7BrF3N3O2.C9H11NO.C6H3Cl2I.C4H9NO.Li.2H2O.2H2S/c28-16-11-15(12-17(29)13-16)22-24(27(30,31)32)35-25-23(36-6-9-39-10-7-36)19(14-33-37(22)25)26(38)34-20-5-8-40-21-4-2-1-3-18(20)21;1-30-18(29)13-9-25-28-14(10-6-11(20)8-12(21)7-10)16(19(22,23)24)26-17(28)15(13)27-2-4-31-5-3-27;19-10-5-9(6-11(20)7-10)13-15(18(21,22)23)25-16-14(26-1-3-30-4-2-26)12(17(28)29)8-24-27(13)16;1-2-24-13(22)9-7-18-21-8-10(14(15,16)17)19-12(21)11(9)20-3-5-23-6-4-20;1-2-19-9(18)5-3-15-17-4-6(10(12,13)14)16-8(17)7(5)11;10-8-5-6-11-9-4-2-1-3-7(8)9;7-4-1-5(8)3-6(9)2-4;1-3-6-4-2-5-1;;;;;/h1-4,11-14,20H,5-10H2,(H,34,38);6-9H,2-5H2,1H3;5-8H,1-4H2,(H,28,29);7-8H,2-6H2,1H3;3-4H,2H2,1H3;1-4,8H,5-6,10H2;1-3H;5H,1-4H2;;4*1H2/q;;;;;;;;+1;;;;/p-1/t20-;;;;;8-;;;;;;;/m0....0......./s1.

What are the key properties of lithium;1,3-dichloro-5-iodobenzene;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 8-bromo-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;methyl 3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;morpholine;sulfane;hydroxide;hydrate?

lithium;1,3-dichloro-5-iodobenzene;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 8-bromo-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;methyl 3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;morpholine;sulfane;hydroxide;hydrate has a molecular weight of 2830.61 g/mol, XLogP of 19.76, 15 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;1,3-dichloro-5-iodobenzene;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 8-bromo-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;methyl 3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;morpholine;sulfane;hydroxide;hydrate is sourced from PubChem (CID 163509589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).