bis(6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine);6-bromo-2-chloropyridine-3,4-diamine;bis((3R)-4-(6-bromo-1H-imidazo[4,5-c]pyridin-4-yl)-3-methylmorpholine);2-bromo-5-nitropyridin-4-amine;dichlorotin;diethoxymethoxyethane;N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;dihydrate

C103H119BBr6Cl5F6N27O15Sn — CID 169429281

IUPACbis(6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine);6-bromo-2-chloropyridine-3,4-diamine;bis((3R)-4-(6-bromo-1H-imidazo[4,5-c]pyridin-4-yl)-3-methylmorpholine);2-bromo-5-nitropyridin-4-amine;dichlorotin;diethoxymethoxyethane;N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;dihydrate
SMILESCCOC(OCC)OCC.C[C@@H]1COCCN1.C[C@@H]1COCCN1c1nc(Br)cc2[nH]cnc12.C[C@@H]1COCCN1c1nc(Br)cc2[nH]cnc12.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2[nH]cnc2c(N2CCOC[C@H]2C)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Cl[Sn]Cl.Clc1nc(Br)cc2[nH]cnc12.Clc1nc(Br)cc2[nH]cnc12.Nc1cc(Br)nc(Cl)c1N.Nc1cc(Br)ncc1[N+](=O)[O-].O.O
InChIInChI=1S/C26H24F3N5O2.C21H23BF3NO3.2C11H13BrN4O.C7H16O3.2C6H3BrClN3.C5H5BrClN3.C5H4BrN3O2.C5H11NO.2ClH.2H2O.Sn/c1-15-6-7-19(32-25(35)17-4-3-5-18(10-17)26(27,28)29)11-20(15)21-12-22-23(31-14-30-22)24(33-21)34-8-9-36-13-16(34)2;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*1-7-5-17-3-2-16(7)11-10-8(13-6-14-10)4-9(12)15-11;1-4-8-7(9-5-2)10-6-3;2*7-4-1-3-5(6(8)11-4)10-2-9-3;6-3-1-2(8)4(9)5(7)10-3;6-5-1-3(7)4(2-8-5)9(10)11;1-5-4-7-3-2-6-5;;;;;/h3-7,10-12,14,16H,8-9,13H2,1-2H3,(H,30,31)(H,32,35);6-12H,1-5H3,(H,26,27);2*4,6-7H,2-3,5H2,1H3,(H,13,14);7H,4-6H2,1-3H3;2*1-2H,(H,9,10);1H,9H2,(H2,8,10);1-2H,(H2,7,8);5-6H,2-4H2,1H3;2*1H;2*1H2;/q;;;;;;;;;;;;;;+2/p-2/t16-;;2*7-;;;;;;5-;;;;;/m1.11.....1...../s1
InChIKeyDJEUIVYZEOSCBR-SKCMZCGNSA-L
MW2875.46 g/mol
LogP22.35
Rot. Bonds16

About bis(6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine);6-bromo-2-chloropyridine-3,4-diamine;bis((3R)-4-(6-bromo-1H-imidazo[4,5-c]pyridin-4-yl)-3-methylmorpholine);2-bromo-5-nitropyridin-4-amine;dichlorotin;diethoxymethoxyethane;N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;dihydrate

bis(6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine);6-bromo-2-chloropyridine-3,4-diamine;bis((3R)-4-(6-bromo-1H-imidazo[4,5-c]pyridin-4-yl)-3-methylmorpholine);2-bromo-5-nitropyridin-4-amine;dichlorotin;diethoxymethoxyethane;N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;dihydrate (PubChem CID 169429281) has the molecular formula C103H119BBr6Cl5F6N27O15Sn and a molecular weight of 2875.46 g/mol. Its IUPAC name is bis(6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine);6-bromo-2-chloropyridine-3,4-diamine;bis((3R)-4-(6-bromo-1H-imidazo[4,5-c]pyridin-4-yl)-3-methylmorpholine);2-bromo-5-nitropyridin-4-amine;dichlorotin;diethoxymethoxyethane;N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;dihydrate.

Molecular Properties

Compound Namebis(6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine);6-bromo-2-chloropyridine-3,4-diamine;bis((3R)-4-(6-bromo-1H-imidazo[4,5-c]pyridin-4-yl)-3-methylmorpholine);2-bromo-5-nitropyridin-4-amine;dichlorotin;diethoxymethoxyethane;N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;dihydrate
PubChem CID169429281
Molecular FormulaC103H119BBr6Cl5F6N27O15Sn
Molecular Weight2875.46 g/mol
Exact Mass2867.19
IUPAC Namebis(6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine);6-bromo-2-chloropyridine-3,4-diamine;bis((3R)-4-(6-bromo-1H-imidazo[4,5-c]pyridin-4-yl)-3-methylmorpholine);2-bromo-5-nitropyridin-4-amine;dichlorotin;diethoxymethoxyethane;N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;dihydrate
SMILESCCOC(OCC)OCC.C[C@@H]1COCCN1.C[C@@H]1COCCN1c1nc(Br)cc2[nH]cnc12.C[C@@H]1COCCN1c1nc(Br)cc2[nH]cnc12.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2[nH]cnc2c(N2CCOC[C@H]2C)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Cl[Sn]Cl.Clc1nc(Br)cc2[nH]cnc12.Clc1nc(Br)cc2[nH]cnc12.Nc1cc(Br)nc(Cl)c1N.Nc1cc(Br)ncc1[N+](=O)[O-].O.O
InChIInChI=1S/C26H24F3N5O2.C21H23BF3NO3.2C11H13BrN4O.C7H16O3.2C6H3BrClN3.C5H5BrClN3.C5H4BrN3O2.C5H11NO.2ClH.2H2O.Sn/c1-15-6-7-19(32-25(35)17-4-3-5-18(10-17)26(27,28)29)11-20(15)21-12-22-23(31-14-30-22)24(33-21)34-8-9-36-13-16(34)2;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*1-7-5-17-3-2-16(7)11-10-8(13-6-14-10)4-9(12)15-11;1-4-8-7(9-5-2)10-6-3;2*7-4-1-3-5(6(8)11-4)10-2-9-3;6-3-1-2(8)4(9)5(7)10-3;6-5-1-3(7)4(2-8-5)9(10)11;1-5-4-7-3-2-6-5;;;;;/h3-7,10-12,14,16H,8-9,13H2,1-2H3,(H,30,31)(H,32,35);6-12H,1-5H3,(H,26,27);2*4,6-7H,2-3,5H2,1H3,(H,13,14);7H,4-6H2,1-3H3;2*1-2H,(H,9,10);1H,9H2,(H2,8,10);1-2H,(H2,7,8);5-6H,2-4H2,1H3;2*1H;2*1H2;/q;;;;;;;;;;;;;;+2/p-2/t16-;;2*7-;;;;;;5-;;;;;/m1.11.....1...../s1
InChIKeyDJEUIVYZEOSCBR-SKCMZCGNSA-L
XLogP22.35
TPSA580.85 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds16
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002875.46
LogP ≤ 522.35
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze bis(6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine);6-bromo-2-chloropyridine-3,4-diamine;bis((3R)-4-(6-bromo-1H-imidazo[4,5-c]pyridin-4-yl)-3-methylmorpholine);2-bromo-5-nitropyridin-4-amine;dichlorotin;diethoxymethoxyethane;N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;dihydrate with MolForge

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Related Compounds

bis(4-(2-chloro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine);2,4-dichloro-5H-cyclopenta[d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-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
CID 158116890
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
6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine;bis((3R)-4-(6-bromo-1H-imidazo[4,5-c]pyridin-4-yl)-3-methylmorpholine);2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-4-carboxamide;(3R)-3-methylmorpholine
CID 159606500

Frequently Asked Questions

What is the IUPAC name of bis(6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine);6-bromo-2-chloropyridine-3,4-diamine;bis((3R)-4-(6-bromo-1H-imidazo[4,5-c]pyridin-4-yl)-3-methylmorpholine);2-bromo-5-nitropyridin-4-amine;dichlorotin;diethoxymethoxyethane;N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;dihydrate?
The IUPAC name of bis(6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine);6-bromo-2-chloropyridine-3,4-diamine;bis((3R)-4-(6-bromo-1H-imidazo[4,5-c]pyridin-4-yl)-3-methylmorpholine);2-bromo-5-nitropyridin-4-amine;dichlorotin;diethoxymethoxyethane;N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;dihydrate (CID 169429281) is bis(6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine);6-bromo-2-chloropyridine-3,4-diamine;bis((3R)-4-(6-bromo-1H-imidazo[4,5-c]pyridin-4-yl)-3-methylmorpholine);2-bromo-5-nitropyridin-4-amine;dichlorotin;diethoxymethoxyethane;N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;dihydrate.
What is the SMILES notation for bis(6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine);6-bromo-2-chloropyridine-3,4-diamine;bis((3R)-4-(6-bromo-1H-imidazo[4,5-c]pyridin-4-yl)-3-methylmorpholine);2-bromo-5-nitropyridin-4-amine;dichlorotin;diethoxymethoxyethane;N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;dihydrate?
The canonical SMILES for bis(6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine);6-bromo-2-chloropyridine-3,4-diamine;bis((3R)-4-(6-bromo-1H-imidazo[4,5-c]pyridin-4-yl)-3-methylmorpholine);2-bromo-5-nitropyridin-4-amine;dichlorotin;diethoxymethoxyethane;N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;dihydrate is CCOC(OCC)OCC.C[C@@H]1COCCN1.C[C@@H]1COCCN1c1nc(Br)cc2[nH]cnc12.C[C@@H]1COCCN1c1nc(Br)cc2[nH]cnc12.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2[nH]cnc2c(N2CCOC[C@H]2C)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Cl[Sn]Cl.Clc1nc(Br)cc2[nH]cnc12.Clc1nc(Br)cc2[nH]cnc12.Nc1cc(Br)nc(Cl)c1N.Nc1cc(Br)ncc1[N+](=O)[O-].O.O.
What is the InChIKey of bis(6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine);6-bromo-2-chloropyridine-3,4-diamine;bis((3R)-4-(6-bromo-1H-imidazo[4,5-c]pyridin-4-yl)-3-methylmorpholine);2-bromo-5-nitropyridin-4-amine;dichlorotin;diethoxymethoxyethane;N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;dihydrate?
The InChIKey is DJEUIVYZEOSCBR-SKCMZCGNSA-L. The full InChI is InChI=1S/C26H24F3N5O2.C21H23BF3NO3.2C11H13BrN4O.C7H16O3.2C6H3BrClN3.C5H5BrClN3.C5H4BrN3O2.C5H11NO.2ClH.2H2O.Sn/c1-15-6-7-19(32-25(35)17-4-3-5-18(10-17)26(27,28)29)11-20(15)21-12-22-23(31-14-30-22)24(33-21)34-8-9-36-13-16(34)2;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*1-7-5-17-3-2-16(7)11-10-8(13-6-14-10)4-9(12)15-11;1-4-8-7(9-5-2)10-6-3;2*7-4-1-3-5(6(8)11-4)10-2-9-3;6-3-1-2(8)4(9)5(7)10-3;6-5-1-3(7)4(2-8-5)9(10)11;1-5-4-7-3-2-6-5;;;;;/h3-7,10-12,14,16H,8-9,13H2,1-2H3,(H,30,31)(H,32,35);6-12H,1-5H3,(H,26,27);2*4,6-7H,2-3,5H2,1H3,(H,13,14);7H,4-6H2,1-3H3;2*1-2H,(H,9,10);1H,9H2,(H2,8,10);1-2H,(H2,7,8);5-6H,2-4H2,1H3;2*1H;2*1H2;/q;;;;;;;;;;;;;;+2/p-2/t16-;;2*7-;;;;;;5-;;;;;/m1.11.....1...../s1.
What are the key properties of bis(6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine);6-bromo-2-chloropyridine-3,4-diamine;bis((3R)-4-(6-bromo-1H-imidazo[4,5-c]pyridin-4-yl)-3-methylmorpholine);2-bromo-5-nitropyridin-4-amine;dichlorotin;diethoxymethoxyethane;N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;dihydrate?
bis(6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine);6-bromo-2-chloropyridine-3,4-diamine;bis((3R)-4-(6-bromo-1H-imidazo[4,5-c]pyridin-4-yl)-3-methylmorpholine);2-bromo-5-nitropyridin-4-amine;dichlorotin;diethoxymethoxyethane;N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;dihydrate has a molecular weight of 2875.46 g/mol, XLogP of 22.35, 16 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine);6-bromo-2-chloropyridine-3,4-diamine;bis((3R)-4-(6-bromo-1H-imidazo[4,5-c]pyridin-4-yl)-3-methylmorpholine);2-bromo-5-nitropyridin-4-amine;dichlorotin;diethoxymethoxyethane;N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;dihydrate is sourced from PubChem (CID 169429281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).