sodium;acetyl acetate;bis(4-(6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)morpholine);4,6-dichloro-1H-imidazo[4,5-c]pyridine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine;2,6-dichloropyridine-3,4-diamine;N-(2,6-dichloro-4-pyridinyl)nitramide;diethoxymethoxyethane;N-[4-methyl-3-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;hydroxide

C107H117BCl12F6N29NaO19 — CID 159899227

About sodium;acetyl acetate;bis(4-(6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)morpholine);4,6-dichloro-1H-imidazo[4,5-c]pyridine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine;2,6-dichloropyridine-3,4-diamine;N-(2,6-dichloro-4-pyridinyl)nitramide;diethoxymethoxyethane;N-[4-methyl-3-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;hydroxide

sodium;acetyl acetate;bis(4-(6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)morpholine);4,6-dichloro-1H-imidazo[4,5-c]pyridine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine;2,6-dichloropyridine-3,4-diamine;N-(2,6-dichloro-4-pyridinyl)nitramide;diethoxymethoxyethane;N-[4-methyl-3-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;hydroxide (PubChem CID 159899227) has the molecular formula C107H117BCl12F6N29NaO19 and a molecular weight of 2686.52 g/mol. Its IUPAC name is sodium;acetyl acetate;bis(4-(6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)morpholine);4,6-dichloro-1H-imidazo[4,5-c]pyridine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine;2,6-dichloropyridine-3,4-diamine;N-(2,6-dichloro-4-pyridinyl)nitramide;diethoxymethoxyethane;N-[4-methyl-3-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;hydroxide.

Molecular Properties

• Compound Name: sodium;acetyl acetate;bis(4-(6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)morpholine);4,6-dichloro-1H-imidazo[4,5-c]pyridine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine;2,6-dichloropyridine-3,4-diamine;N-(2,6-dichloro-4-pyridinyl)nitramide;diethoxymethoxyethane;N-[4-methyl-3-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;hydroxide
• PubChem CID: 159899227
• Molecular Formula: C107H117BCl12F6N29NaO19
• Molecular Weight: 2686.52 g/mol
• Exact Mass: 2679.52
• IUPAC Name: sodium;acetyl acetate;bis(4-(6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)morpholine);4,6-dichloro-1H-imidazo[4,5-c]pyridine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine;2,6-dichloropyridine-3,4-diamine;N-(2,6-dichloro-4-pyridinyl)nitramide;diethoxymethoxyethane;N-[4-methyl-3-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;hydroxide
• SMILES: C1COCCN1.CC(=O)OC(C)=O.CCOC(OCC)OCC.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2[nH]cnc2c(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc2[nH]cnc2c(Cl)n1.Clc1cc2[nH]cnc2c(N2CCOCC2)n1.Clc1cc2[nH]cnc2c(N2CCOCC2)n1.Nc1cc(Cl)nc(Cl)c1.Nc1cc(Cl)nc(Cl)c1N.Nc1cc(Cl)nc(Cl)c1[N+](=O)[O-].O=[N+]([O-])Nc1cc(Cl)nc(Cl)c1.[Na+].[OH-]
• InChI: InChI=1S/C25H22F3N5O2.C21H23BF3NO3.2C10H11ClN4O.C7H16O3.C6H3Cl2N3.2C5H3Cl2N3O2.C5H5Cl2N3.C5H4Cl2N2.C4H9NO.C4H6O3.Na.H2O/c1-15-5-6-18(31-24(34)16-3-2-4-17(11-16)25(26,27)28)12-19(15)20-13-21-22(30-14-29-21)23(32-20)33-7-9-35-10-8-33;1-13-9-10-16(12-17(13)22-28-19(2,3)20(4,5)29-22)26-18(27)14-7-6-8-15(11-14)21(23,24)25;2*11-8-5-7-9(13-6-12-7)10(14-8)15-1-3-16-4-2-15;1-4-8-7(9-5-2)10-6-3;7-4-1-3-5(6(8)11-4)10-2-9-3;6-4-1-3(9-10(11)12)2-5(7)8-4;6-3-1-2(8)4(10(11)12)5(7)9-3;6-3-1-2(8)4(9)5(7)10-3;6-4-1-3(8)2-5(7)9-4;1-3-6-4-2-5-1;1-3(5)7-4(2)6;;/h2-6,11-14H,7-10H2,1H3,(H,29,30)(H,31,34);6-12H,1-5H3,(H,26,27);2*5-6H,1-4H2,(H,12,13);7H,4-6H2,1-3H3;1-2H,(H,9,10);1-2H,(H,8,9);1H,(H2,8,9);1H,9H2,(H2,8,10);1-2H,(H2,8,9);5H,1-4H2;1-2H3;;1H2/q;;;;;;;;;;;;+1;/p-1
• InChIKey: OBZVAJJPWOLRDN-UHFFFAOYSA-M
• XLogP: 20.07
• TPSA: 656.62 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 39
• Rotatable Bonds: 18
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2686.52
LogP ≤ 5	20.07
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;acetyl acetate;bis(4-(6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)morpholine);4,6-dichloro-1H-imidazo[4,5-c]pyridine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine;2,6-dichloropyridine-3,4-diamine;N-(2,6-dichloro-4-pyridinyl)nitramide;diethoxymethoxyethane;N-[4-methyl-3-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;hydroxide?

The IUPAC name of sodium;acetyl acetate;bis(4-(6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)morpholine);4,6-dichloro-1H-imidazo[4,5-c]pyridine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine;2,6-dichloropyridine-3,4-diamine;N-(2,6-dichloro-4-pyridinyl)nitramide;diethoxymethoxyethane;N-[4-methyl-3-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;hydroxide (CID 159899227) is sodium;acetyl acetate;bis(4-(6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)morpholine);4,6-dichloro-1H-imidazo[4,5-c]pyridine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine;2,6-dichloropyridine-3,4-diamine;N-(2,6-dichloro-4-pyridinyl)nitramide;diethoxymethoxyethane;N-[4-methyl-3-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;hydroxide.

What is the SMILES notation for sodium;acetyl acetate;bis(4-(6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)morpholine);4,6-dichloro-1H-imidazo[4,5-c]pyridine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine;2,6-dichloropyridine-3,4-diamine;N-(2,6-dichloro-4-pyridinyl)nitramide;diethoxymethoxyethane;N-[4-methyl-3-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;hydroxide?

The canonical SMILES for sodium;acetyl acetate;bis(4-(6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)morpholine);4,6-dichloro-1H-imidazo[4,5-c]pyridine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine;2,6-dichloropyridine-3,4-diamine;N-(2,6-dichloro-4-pyridinyl)nitramide;diethoxymethoxyethane;N-[4-methyl-3-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;hydroxide is C1COCCN1.CC(=O)OC(C)=O.CCOC(OCC)OCC.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2[nH]cnc2c(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc2[nH]cnc2c(Cl)n1.Clc1cc2[nH]cnc2c(N2CCOCC2)n1.Clc1cc2[nH]cnc2c(N2CCOCC2)n1.Nc1cc(Cl)nc(Cl)c1.Nc1cc(Cl)nc(Cl)c1N.Nc1cc(Cl)nc(Cl)c1[N+](=O)[O-].O=[N+]([O-])Nc1cc(Cl)nc(Cl)c1.[Na+].[OH-].

What is the InChIKey of sodium;acetyl acetate;bis(4-(6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)morpholine);4,6-dichloro-1H-imidazo[4,5-c]pyridine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine;2,6-dichloropyridine-3,4-diamine;N-(2,6-dichloro-4-pyridinyl)nitramide;diethoxymethoxyethane;N-[4-methyl-3-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;hydroxide?

The InChIKey is OBZVAJJPWOLRDN-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H22F3N5O2.C21H23BF3NO3.2C10H11ClN4O.C7H16O3.C6H3Cl2N3.2C5H3Cl2N3O2.C5H5Cl2N3.C5H4Cl2N2.C4H9NO.C4H6O3.Na.H2O/c1-15-5-6-18(31-24(34)16-3-2-4-17(11-16)25(26,27)28)12-19(15)20-13-21-22(30-14-29-21)23(32-20)33-7-9-35-10-8-33;1-13-9-10-16(12-17(13)22-28-19(2,3)20(4,5)29-22)26-18(27)14-7-6-8-15(11-14)21(23,24)25;2*11-8-5-7-9(13-6-12-7)10(14-8)15-1-3-16-4-2-15;1-4-8-7(9-5-2)10-6-3;7-4-1-3-5(6(8)11-4)10-2-9-3;6-4-1-3(9-10(11)12)2-5(7)8-4;6-3-1-2(8)4(10(11)12)5(7)9-3;6-3-1-2(8)4(9)5(7)10-3;6-4-1-3(8)2-5(7)9-4;1-3-6-4-2-5-1;1-3(5)7-4(2)6;;/h2-6,11-14H,7-10H2,1H3,(H,29,30)(H,31,34);6-12H,1-5H3,(H,26,27);2*5-6H,1-4H2,(H,12,13);7H,4-6H2,1-3H3;1-2H,(H,9,10);1-2H,(H,8,9);1H,(H2,8,9);1H,9H2,(H2,8,10);1-2H,(H2,8,9);5H,1-4H2;1-2H3;;1H2/q;;;;;;;;;;;;+1;/p-1.

What are the key properties of sodium;acetyl acetate;bis(4-(6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)morpholine);4,6-dichloro-1H-imidazo[4,5-c]pyridine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine;2,6-dichloropyridine-3,4-diamine;N-(2,6-dichloro-4-pyridinyl)nitramide;diethoxymethoxyethane;N-[4-methyl-3-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;hydroxide?

sodium;acetyl acetate;bis(4-(6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)morpholine);4,6-dichloro-1H-imidazo[4,5-c]pyridine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine;2,6-dichloropyridine-3,4-diamine;N-(2,6-dichloro-4-pyridinyl)nitramide;diethoxymethoxyethane;N-[4-methyl-3-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;hydroxide has a molecular weight of 2686.52 g/mol, XLogP of 20.07, 18 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;acetyl acetate;bis(4-(6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)morpholine);4,6-dichloro-1H-imidazo[4,5-c]pyridine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine;2,6-dichloropyridine-3,4-diamine;N-(2,6-dichloro-4-pyridinyl)nitramide;diethoxymethoxyethane;N-[4-methyl-3-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;hydroxide is sourced from PubChem (CID 159899227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).