3-bromo-8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;3-bromo-6-(2,4-dichlorophenyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;6-(2,4-dichlorophenyl)-3-(6-fluoro-3-pyridinyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;[6-(2,4-dichlorophenyl)-8-(2-methylpropoxy)-3-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine;(6-fluoro-3-pyridinyl)boronic acid;methane;morpholine

C106H89BBr2Cl12F2N20O7 — CID 158143271

About 3-bromo-8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;3-bromo-6-(2,4-dichlorophenyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;6-(2,4-dichlorophenyl)-3-(6-fluoro-3-pyridinyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;[6-(2,4-dichlorophenyl)-8-(2-methylpropoxy)-3-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine;(6-fluoro-3-pyridinyl)boronic acid;methane;morpholine

3-bromo-8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;3-bromo-6-(2,4-dichlorophenyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;6-(2,4-dichlorophenyl)-3-(6-fluoro-3-pyridinyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;[6-(2,4-dichlorophenyl)-8-(2-methylpropoxy)-3-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine;(6-fluoro-3-pyridinyl)boronic acid;methane;morpholine (PubChem CID 158143271) has the molecular formula C106H89BBr2Cl12F2N20O7 and a molecular weight of 2389.06 g/mol. Its IUPAC name is 3-bromo-8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;3-bromo-6-(2,4-dichlorophenyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;6-(2,4-dichlorophenyl)-3-(6-fluoro-3-pyridinyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;[6-(2,4-dichlorophenyl)-8-(2-methylpropoxy)-3-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine;(6-fluoro-3-pyridinyl)boronic acid;methane;morpholine.

Molecular Properties

• Compound Name: 3-bromo-8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;3-bromo-6-(2,4-dichlorophenyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;6-(2,4-dichlorophenyl)-3-(6-fluoro-3-pyridinyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;[6-(2,4-dichlorophenyl)-8-(2-methylpropoxy)-3-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine;(6-fluoro-3-pyridinyl)boronic acid;methane;morpholine
• PubChem CID: 158143271
• Molecular Formula: C106H89BBr2Cl12F2N20O7
• Molecular Weight: 2389.06 g/mol
• Exact Mass: 2380.19
• IUPAC Name: 3-bromo-8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;3-bromo-6-(2,4-dichlorophenyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;6-(2,4-dichlorophenyl)-3-(6-fluoro-3-pyridinyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;[6-(2,4-dichlorophenyl)-8-(2-methylpropoxy)-3-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine;(6-fluoro-3-pyridinyl)boronic acid;methane;morpholine
• SMILES: C.C1COCCN1.CC(C)COc1c(CN)c(-c2ccc(Cl)cc2Cl)cn2c(-c3ccc(N4CCOCC4)nc3)cnc12.OB(O)c1ccc(F)nc1.[C-]#[N+]c1c(-c2ccc(Cl)cc2Cl)cn2c(-c3ccc(F)nc3)cnc2c1OCC(C)C.[C-]#[N+]c1c(-c2ccc(Cl)cc2Cl)cn2c(Br)cnc2c1Cl.[C-]#[N+]c1c(-c2ccc(Cl)cc2Cl)cn2c(Br)cnc2c1OCC(C)C.[C-]#[N+]c1c(-c2ccc(Cl)cc2Cl)cn2ccnc2c1Cl
• InChI: InChI=1S/C27H29Cl2N5O2.C23H17Cl2FN4O.C18H14BrCl2N3O.C14H5BrCl3N3.C14H6Cl3N3.C5H5BFNO2.C4H9NO.CH4/c1-17(2)16-36-26-21(12-30)22(20-5-4-19(28)11-23(20)29)15-34-24(14-32-27(26)34)18-3-6-25(31-13-18)33-7-9-35-10-8-33;1-13(2)12-31-22-21(27-3)17(16-6-5-15(24)8-18(16)25)11-30-19(10-29-23(22)30)14-4-7-20(26)28-9-14;1-10(2)9-25-17-16(22-3)13(8-24-15(19)7-23-18(17)24)12-5-4-11(20)6-14(12)21;1-19-13-9(8-3-2-7(16)4-10(8)17)6-21-11(15)5-20-14(21)12(13)18;1-18-13-10(9-3-2-8(15)6-11(9)16)7-20-5-4-19-14(20)12(13)17;7-5-2-1-4(3-8-5)6(9)10;1-3-6-4-2-5-1;/h3-6,11,13-15,17H,7-10,12,16,30H2,1-2H3;4-11,13H,12H2,1-2H3;4-8,10H,9H2,1-2H3;2-6H;2-7H;1-3,9-10H;5H,1-4H2;1H4
• InChIKey: FUEZVMYDADFRLM-UHFFFAOYSA-N
• XLogP: 30.38
• TPSA: 270.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2389.06
LogP ≤ 5	30.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;3-bromo-6-(2,4-dichlorophenyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;6-(2,4-dichlorophenyl)-3-(6-fluoro-3-pyridinyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;[6-(2,4-dichlorophenyl)-8-(2-methylpropoxy)-3-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine;(6-fluoro-3-pyridinyl)boronic acid;methane;morpholine?

The IUPAC name of 3-bromo-8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;3-bromo-6-(2,4-dichlorophenyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;6-(2,4-dichlorophenyl)-3-(6-fluoro-3-pyridinyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;[6-(2,4-dichlorophenyl)-8-(2-methylpropoxy)-3-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine;(6-fluoro-3-pyridinyl)boronic acid;methane;morpholine (CID 158143271) is 3-bromo-8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;3-bromo-6-(2,4-dichlorophenyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;6-(2,4-dichlorophenyl)-3-(6-fluoro-3-pyridinyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;[6-(2,4-dichlorophenyl)-8-(2-methylpropoxy)-3-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine;(6-fluoro-3-pyridinyl)boronic acid;methane;morpholine.

What is the SMILES notation for 3-bromo-8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;3-bromo-6-(2,4-dichlorophenyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;6-(2,4-dichlorophenyl)-3-(6-fluoro-3-pyridinyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;[6-(2,4-dichlorophenyl)-8-(2-methylpropoxy)-3-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine;(6-fluoro-3-pyridinyl)boronic acid;methane;morpholine?

The canonical SMILES for 3-bromo-8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;3-bromo-6-(2,4-dichlorophenyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;6-(2,4-dichlorophenyl)-3-(6-fluoro-3-pyridinyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;[6-(2,4-dichlorophenyl)-8-(2-methylpropoxy)-3-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine;(6-fluoro-3-pyridinyl)boronic acid;methane;morpholine is C.C1COCCN1.CC(C)COc1c(CN)c(-c2ccc(Cl)cc2Cl)cn2c(-c3ccc(N4CCOCC4)nc3)cnc12.OB(O)c1ccc(F)nc1.[C-]#[N+]c1c(-c2ccc(Cl)cc2Cl)cn2c(-c3ccc(F)nc3)cnc2c1OCC(C)C.[C-]#[N+]c1c(-c2ccc(Cl)cc2Cl)cn2c(Br)cnc2c1Cl.[C-]#[N+]c1c(-c2ccc(Cl)cc2Cl)cn2c(Br)cnc2c1OCC(C)C.[C-]#[N+]c1c(-c2ccc(Cl)cc2Cl)cn2ccnc2c1Cl.

What is the InChIKey of 3-bromo-8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;3-bromo-6-(2,4-dichlorophenyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;6-(2,4-dichlorophenyl)-3-(6-fluoro-3-pyridinyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;[6-(2,4-dichlorophenyl)-8-(2-methylpropoxy)-3-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine;(6-fluoro-3-pyridinyl)boronic acid;methane;morpholine?

The InChIKey is FUEZVMYDADFRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29Cl2N5O2.C23H17Cl2FN4O.C18H14BrCl2N3O.C14H5BrCl3N3.C14H6Cl3N3.C5H5BFNO2.C4H9NO.CH4/c1-17(2)16-36-26-21(12-30)22(20-5-4-19(28)11-23(20)29)15-34-24(14-32-27(26)34)18-3-6-25(31-13-18)33-7-9-35-10-8-33;1-13(2)12-31-22-21(27-3)17(16-6-5-15(24)8-18(16)25)11-30-19(10-29-23(22)30)14-4-7-20(26)28-9-14;1-10(2)9-25-17-16(22-3)13(8-24-15(19)7-23-18(17)24)12-5-4-11(20)6-14(12)21;1-19-13-9(8-3-2-7(16)4-10(8)17)6-21-11(15)5-20-14(21)12(13)18;1-18-13-10(9-3-2-8(15)6-11(9)16)7-20-5-4-19-14(20)12(13)17;7-5-2-1-4(3-8-5)6(9)10;1-3-6-4-2-5-1;/h3-6,11,13-15,17H,7-10,12,16,30H2,1-2H3;4-11,13H,12H2,1-2H3;4-8,10H,9H2,1-2H3;2-6H;2-7H;1-3,9-10H;5H,1-4H2;1H4.

What are the key properties of 3-bromo-8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;3-bromo-6-(2,4-dichlorophenyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;6-(2,4-dichlorophenyl)-3-(6-fluoro-3-pyridinyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;[6-(2,4-dichlorophenyl)-8-(2-methylpropoxy)-3-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine;(6-fluoro-3-pyridinyl)boronic acid;methane;morpholine?

3-bromo-8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;3-bromo-6-(2,4-dichlorophenyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;6-(2,4-dichlorophenyl)-3-(6-fluoro-3-pyridinyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;[6-(2,4-dichlorophenyl)-8-(2-methylpropoxy)-3-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine;(6-fluoro-3-pyridinyl)boronic acid;methane;morpholine has a molecular weight of 2389.06 g/mol, XLogP of 30.38, 19 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;3-bromo-6-(2,4-dichlorophenyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;8-chloro-6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;6-(2,4-dichlorophenyl)-3-(6-fluoro-3-pyridinyl)-7-isocyano-8-(2-methylpropoxy)imidazo[1,2-a]pyridine;[6-(2,4-dichlorophenyl)-8-(2-methylpropoxy)-3-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine;(6-fluoro-3-pyridinyl)boronic acid;methane;morpholine is sourced from PubChem (CID 158143271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).