2-bromo-1-(3-bromophenyl)ethanone;2-(3-bromophenyl)imidazo[1,2-a]pyridine;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;[4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5H-pyrimidin-5-id-2-yl]azanide;carbamimidoylazanide;ethane;pyridin-2-amine;tungsten;bis(yttrium)

C87H90Br6N17O3W3Y2-5 — CID 160880521

IUPAC2-bromo-1-(3-bromophenyl)ethanone;2-(3-bromophenyl)imidazo[1,2-a]pyridine;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;[4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5H-pyrimidin-5-id-2-yl]azanide;carbamimidoylazanide;ethane;pyridin-2-amine;tungsten;bis(yttrium)
SMILESBrc1cccc(-c2cn3ccccc3n2)c1.CC.CC.CC.CC.CC.CN(C)/C=[C-]/C(=O)c1c(-c2cccc(Br)c2)nc2ccccn12.Nc1ccccn1.O=C(CBr)c1cccc(Br)c1.[CH2-]C(=O)c1c(-c2cccc(Br)c2)nc2ccccn12.[H]/N=C(/[NH-])N.[NH-]c1nc[c-]c(-c2c(-c3cccc(Br)c3)nc3ccccn23)n1.[W].[W].[W].[Y].[Y]
InChIInChI=1S/C18H15BrN3O.C17H10BrN5.C15H10BrN2O.C13H9BrN2.C8H6Br2O.C5H6N2.5C2H6.CH4N3.3W.2Y/c1-21(2)11-9-15(23)18-17(13-6-5-7-14(19)12-13)20-16-8-3-4-10-22(16)18;18-12-5-3-4-11(10-12)15-16(13-7-8-20-17(19)21-13)23-9-2-1-6-14(23)22-15;1-10(19)15-14(11-5-4-6-12(16)9-11)17-13-7-2-3-8-18(13)15;14-11-5-3-4-10(8-11)12-9-16-7-2-1-6-13(16)15-12;9-5-8(11)6-2-1-3-7(10)4-6;6-5-3-1-2-4-7-5;5*1-2;2-1(3)4;;;;;/h3-8,10-12H,1-2H3;1-6,8-10H,(H-,19,20,21);2-9H,1H2;1-9H;1-4H,5H2;1-4H,(H2,6,7);5*1-2H3;(H4-,2,3,4);;;;;/q-1;-2;-1;;;;;;;;;-1;;;;;
InChIKeyNYYWUKTZNBDMET-UHFFFAOYSA-N
MW2630.55 g/mol
LogP24.82
Rot. Bonds11

About 2-bromo-1-(3-bromophenyl)ethanone;2-(3-bromophenyl)imidazo[1,2-a]pyridine;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;[4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5H-pyrimidin-5-id-2-yl]azanide;carbamimidoylazanide;ethane;pyridin-2-amine;tungsten;bis(yttrium)

2-bromo-1-(3-bromophenyl)ethanone;2-(3-bromophenyl)imidazo[1,2-a]pyridine;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;[4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5H-pyrimidin-5-id-2-yl]azanide;carbamimidoylazanide;ethane;pyridin-2-amine;tungsten;bis(yttrium) (PubChem CID 160880521) has the molecular formula C87H90Br6N17O3W3Y2-5 and a molecular weight of 2630.55 g/mol. Its IUPAC name is 2-bromo-1-(3-bromophenyl)ethanone;2-(3-bromophenyl)imidazo[1,2-a]pyridine;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;[4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5H-pyrimidin-5-id-2-yl]azanide;carbamimidoylazanide;ethane;pyridin-2-amine;tungsten;bis(yttrium).

Molecular Properties

Compound Name2-bromo-1-(3-bromophenyl)ethanone;2-(3-bromophenyl)imidazo[1,2-a]pyridine;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;[4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5H-pyrimidin-5-id-2-yl]azanide;carbamimidoylazanide;ethane;pyridin-2-amine;tungsten;bis(yttrium)
PubChem CID160880521
Molecular FormulaC87H90Br6N17O3W3Y2-5
Molecular Weight2630.55 g/mol
Exact Mass2623.92
IUPAC Name2-bromo-1-(3-bromophenyl)ethanone;2-(3-bromophenyl)imidazo[1,2-a]pyridine;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;[4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5H-pyrimidin-5-id-2-yl]azanide;carbamimidoylazanide;ethane;pyridin-2-amine;tungsten;bis(yttrium)
SMILESBrc1cccc(-c2cn3ccccc3n2)c1.CC.CC.CC.CC.CC.CN(C)/C=[C-]/C(=O)c1c(-c2cccc(Br)c2)nc2ccccn12.Nc1ccccn1.O=C(CBr)c1cccc(Br)c1.[CH2-]C(=O)c1c(-c2cccc(Br)c2)nc2ccccn12.[H]/N=C(/[NH-])N.[NH-]c1nc[c-]c(-c2c(-c3cccc(Br)c3)nc3ccccn23)n1.[W].[W].[W].[Y].[Y]
InChIInChI=1S/C18H15BrN3O.C17H10BrN5.C15H10BrN2O.C13H9BrN2.C8H6Br2O.C5H6N2.5C2H6.CH4N3.3W.2Y/c1-21(2)11-9-15(23)18-17(13-6-5-7-14(19)12-13)20-16-8-3-4-10-22(16)18;18-12-5-3-4-11(10-12)15-16(13-7-8-20-17(19)21-13)23-9-2-1-6-14(23)22-15;1-10(19)15-14(11-5-4-6-12(16)9-11)17-13-7-2-3-8-18(13)15;14-11-5-3-4-10(8-11)12-9-16-7-2-1-6-13(16)15-12;9-5-8(11)6-2-1-3-7(10)4-6;6-5-3-1-2-4-7-5;5*1-2;2-1(3)4;;;;;/h3-8,10-12H,1-2H3;1-6,8-10H,(H-,19,20,21);2-9H,1H2;1-9H;1-4H,5H2;1-4H,(H2,6,7);5*1-2H3;(H4-,2,3,4);;;;;/q-1;-2;-1;;;;;;;;;-1;;;;;
InChIKeyNYYWUKTZNBDMET-UHFFFAOYSA-N
XLogP24.82
TPSA285.81 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002630.55
LogP ≤ 524.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-bromo-1-(3-bromophenyl)ethanone;2-(3-bromophenyl)imidazo[1,2-a]pyridine;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;[4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5H-pyrimidin-5-id-2-yl]azanide;carbamimidoylazanide;ethane;pyridin-2-amine;tungsten;bis(yttrium) with MolForge

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Related Compounds

CID 157120362
CID 157120362
2-bromo-1-(3-nitrophenyl)ethanone;(E)-3-(dimethylamino)-1-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one;ethane;ethanimidamide;3-iodo-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;nitric acid;2-(3-nitrophenyl)imidazo[1,2-a]pyridine;1-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;pyridin-2-amine;yttrium
CID 157658837
2-bromo-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine;methane;methanol;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 157866811
8,10b-Dihydropyren-1-ylboronic acid;2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[2,1-a]isoquinoline);isoquinolin-1-amine;methane;2-(4-pyren-1-ylphenyl)imidazo[2,1-a]isoquinoline
CID 157969935
(3-amino-2-methylimidazo[1,2-a]pyridin-6-yl)-piperidin-1-ylmethanone;(3-amino-2-phenylimidazo[1,2-a]pyridin-6-yl)-piperidin-1-ylmethanone;6-bromo-N,N-diethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide;(3,6-dibromoimidazo[1,2-a]pyridin-2-yl)-piperidin-1-ylmethanone;(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)-piperidin-1-ylmethanone;(2-methyl-3-phenylimidazo[1,2-a]pyridin-7-yl)-piperidin-1-ylmethanone;(2-methyl-3-phenylimidazo[1,2-a]pyridin-8-yl)-piperidin-1-ylmethanone;(3-methyl-2-phenylimidazo[1,2-a]pyridin-6-yl)-piperidin-1-ylmethanone
CID 158116678
bis(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);pentakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methanesulfonyl chloride;bis(5-methylpyridin-2-amine);hydrochloride
CID 158201909
(3-Benzylimidazo[1,2-a]pyridin-6-yl)-piperidin-1-ylmethanone;(6-bromoimidazo[1,2-a]pyridin-3-yl)-piperidin-1-ylmethanone;cyclohexyl-[4-(3-phenylimidazo[1,2-a]pyridine-6-carbonyl)piperazin-1-yl]methanone;(6-methylimidazo[1,2-a]pyridin-3-yl)-piperidin-1-ylmethanone;[3-(2-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
CID 158443370
CID 158471607
CID 158471607
8-Bromo-2-phenylimidazo[1,2-a]pyridine;1-(3-bromophenyl)-2-[2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]ethanone;9-(3-bromophenyl)-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;3-bromopyridin-2-amine;2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;15-phenyl-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
CID 158528923
8-Bromo-2-phenylimidazo[1,2-a]pyridine;1-(4-bromophenyl)-2-[2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]ethanone;9-(4-bromophenyl)-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;3-bromopyridin-2-amine;2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;15-phenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
CID 158979166
2-bromo-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine;methanol;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 158996348
2-bromo-1-[4-(dimethylamino)phenyl]ethanone;tetrakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methane;methanesulfonyl chloride;5-methylpyridin-2-amine;hydrochloride
CID 159033912

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-bromophenyl)ethanone;2-(3-bromophenyl)imidazo[1,2-a]pyridine;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;[4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5H-pyrimidin-5-id-2-yl]azanide;carbamimidoylazanide;ethane;pyridin-2-amine;tungsten;bis(yttrium)?
The IUPAC name of 2-bromo-1-(3-bromophenyl)ethanone;2-(3-bromophenyl)imidazo[1,2-a]pyridine;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;[4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5H-pyrimidin-5-id-2-yl]azanide;carbamimidoylazanide;ethane;pyridin-2-amine;tungsten;bis(yttrium) (CID 160880521) is 2-bromo-1-(3-bromophenyl)ethanone;2-(3-bromophenyl)imidazo[1,2-a]pyridine;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;[4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5H-pyrimidin-5-id-2-yl]azanide;carbamimidoylazanide;ethane;pyridin-2-amine;tungsten;bis(yttrium).
What is the SMILES notation for 2-bromo-1-(3-bromophenyl)ethanone;2-(3-bromophenyl)imidazo[1,2-a]pyridine;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;[4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5H-pyrimidin-5-id-2-yl]azanide;carbamimidoylazanide;ethane;pyridin-2-amine;tungsten;bis(yttrium)?
The canonical SMILES for 2-bromo-1-(3-bromophenyl)ethanone;2-(3-bromophenyl)imidazo[1,2-a]pyridine;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;[4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5H-pyrimidin-5-id-2-yl]azanide;carbamimidoylazanide;ethane;pyridin-2-amine;tungsten;bis(yttrium) is Brc1cccc(-c2cn3ccccc3n2)c1.CC.CC.CC.CC.CC.CN(C)/C=[C-]/C(=O)c1c(-c2cccc(Br)c2)nc2ccccn12.Nc1ccccn1.O=C(CBr)c1cccc(Br)c1.[CH2-]C(=O)c1c(-c2cccc(Br)c2)nc2ccccn12.[H]/N=C(/[NH-])N.[NH-]c1nc[c-]c(-c2c(-c3cccc(Br)c3)nc3ccccn23)n1.[W].[W].[W].[Y].[Y].
What is the InChIKey of 2-bromo-1-(3-bromophenyl)ethanone;2-(3-bromophenyl)imidazo[1,2-a]pyridine;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;[4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5H-pyrimidin-5-id-2-yl]azanide;carbamimidoylazanide;ethane;pyridin-2-amine;tungsten;bis(yttrium)?
The InChIKey is NYYWUKTZNBDMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN3O.C17H10BrN5.C15H10BrN2O.C13H9BrN2.C8H6Br2O.C5H6N2.5C2H6.CH4N3.3W.2Y/c1-21(2)11-9-15(23)18-17(13-6-5-7-14(19)12-13)20-16-8-3-4-10-22(16)18;18-12-5-3-4-11(10-12)15-16(13-7-8-20-17(19)21-13)23-9-2-1-6-14(23)22-15;1-10(19)15-14(11-5-4-6-12(16)9-11)17-13-7-2-3-8-18(13)15;14-11-5-3-4-10(8-11)12-9-16-7-2-1-6-13(16)15-12;9-5-8(11)6-2-1-3-7(10)4-6;6-5-3-1-2-4-7-5;5*1-2;2-1(3)4;;;;;/h3-8,10-12H,1-2H3;1-6,8-10H,(H-,19,20,21);2-9H,1H2;1-9H;1-4H,5H2;1-4H,(H2,6,7);5*1-2H3;(H4-,2,3,4);;;;;/q-1;-2;-1;;;;;;;;;-1;;;;;.
What are the key properties of 2-bromo-1-(3-bromophenyl)ethanone;2-(3-bromophenyl)imidazo[1,2-a]pyridine;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;[4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5H-pyrimidin-5-id-2-yl]azanide;carbamimidoylazanide;ethane;pyridin-2-amine;tungsten;bis(yttrium)?
2-bromo-1-(3-bromophenyl)ethanone;2-(3-bromophenyl)imidazo[1,2-a]pyridine;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;[4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5H-pyrimidin-5-id-2-yl]azanide;carbamimidoylazanide;ethane;pyridin-2-amine;tungsten;bis(yttrium) has a molecular weight of 2630.55 g/mol, XLogP of 24.82, 11 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-bromophenyl)ethanone;2-(3-bromophenyl)imidazo[1,2-a]pyridine;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;[4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5H-pyrimidin-5-id-2-yl]azanide;carbamimidoylazanide;ethane;pyridin-2-amine;tungsten;bis(yttrium) is sourced from PubChem (CID 160880521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).