3-acetyl-7-bromoisochromen-1-one;7-bromo-3-(2-bromoacetyl)isochromen-1-one;7-bromo-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-bromo-3-(1-hydroxyethyl)isochromen-1-one;5-bromo-2-iodobenzoic acid;tert-butyl 4-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-1-oxoisochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;but-3-yn-2-ol;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one;3,5-dimethylpyrazin-2-amine;hydrobromide

C132H130BBr7IN15O24 — CID 159858438

About 3-acetyl-7-bromoisochromen-1-one;7-bromo-3-(2-bromoacetyl)isochromen-1-one;7-bromo-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-bromo-3-(1-hydroxyethyl)isochromen-1-one;5-bromo-2-iodobenzoic acid;tert-butyl 4-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-1-oxoisochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;but-3-yn-2-ol;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one;3,5-dimethylpyrazin-2-amine;hydrobromide

3-acetyl-7-bromoisochromen-1-one;7-bromo-3-(2-bromoacetyl)isochromen-1-one;7-bromo-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-bromo-3-(1-hydroxyethyl)isochromen-1-one;5-bromo-2-iodobenzoic acid;tert-butyl 4-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-1-oxoisochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;but-3-yn-2-ol;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one;3,5-dimethylpyrazin-2-amine;hydrobromide (PubChem CID 159858438) has the molecular formula C132H130BBr7IN15O24 and a molecular weight of 3007.62 g/mol. Its IUPAC name is 3-acetyl-7-bromoisochromen-1-one;7-bromo-3-(2-bromoacetyl)isochromen-1-one;7-bromo-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-bromo-3-(1-hydroxyethyl)isochromen-1-one;5-bromo-2-iodobenzoic acid;tert-butyl 4-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-1-oxoisochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;but-3-yn-2-ol;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one;3,5-dimethylpyrazin-2-amine;hydrobromide.

Molecular Properties

• Compound Name: 3-acetyl-7-bromoisochromen-1-one;7-bromo-3-(2-bromoacetyl)isochromen-1-one;7-bromo-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-bromo-3-(1-hydroxyethyl)isochromen-1-one;5-bromo-2-iodobenzoic acid;tert-butyl 4-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-1-oxoisochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;but-3-yn-2-ol;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one;3,5-dimethylpyrazin-2-amine;hydrobromide
• PubChem CID: 159858438
• Molecular Formula: C132H130BBr7IN15O24
• Molecular Weight: 3007.62 g/mol
• Exact Mass: 2999.28
• IUPAC Name: 3-acetyl-7-bromoisochromen-1-one;7-bromo-3-(2-bromoacetyl)isochromen-1-one;7-bromo-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-bromo-3-(1-hydroxyethyl)isochromen-1-one;5-bromo-2-iodobenzoic acid;tert-butyl 4-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-1-oxoisochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;but-3-yn-2-ol;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one;3,5-dimethylpyrazin-2-amine;hydrobromide
• SMILES: Br.C#CC(C)O.CC(=O)c1cc2ccc(Br)cc2c(=O)o1.CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(O)c1cc2ccc(Br)cc2c(=O)o1.Cc1cn2cc(-c3cc4ccc(Br)cc4c(=O)o3)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(C5=CCN(C(=O)OC(C)(C)C)CC5)cc4c(=O)o3)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(C5=CCNCC5)cc4c(=O)o3)nc2c(C)n1.Cc1cnc(N)c(C)n1.O=C(CBr)c1cc2ccc(Br)cc2c(=O)o1.O=C(O)c1cc(Br)ccc1I
• InChI: InChI=1S/C27H28N4O4.C22H20N4O2.C17H12BrN3O2.C16H28BNO4.C11H6Br2O3.C11H9BrO3.C11H7BrO3.C7H4BrIO2.C6H9N3.C4H6O.BrH/c1-16-14-31-15-22(29-24(31)17(2)28-16)23-13-20-7-6-19(12-21(20)25(32)34-23)18-8-10-30(11-9-18)26(33)35-27(3,4)5;1-13-11-26-12-19(25-21(26)14(2)24-13)20-10-17-4-3-16(9-18(17)22(27)28-20)15-5-7-23-8-6-15;1-9-7-21-8-14(20-16(21)10(2)19-9)15-5-11-3-4-12(18)6-13(11)17(22)23-15;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;12-5-9(14)10-3-6-1-2-7(13)4-8(6)11(15)16-10;2*1-6(13)10-4-7-2-3-8(12)5-9(7)11(14)15-10;8-4-1-2-6(9)5(3-4)7(10)11;1-4-3-8-6(7)5(2)9-4;1-3-4(2)5;/h6-8,12-15H,9-11H2,1-5H3;3-5,9-12,23H,6-8H2,1-2H3;3-8H,1-2H3;8H,9-11H2,1-7H3;1-4H,5H2;2-6,13H,1H3;2-5H,1H3;1-3H,(H,10,11);3H,1-2H3,(H2,7,8);1,4-5H,2H3;1H
• InChIKey: IEVWUXCOVADCOY-UHFFFAOYSA-N
• XLogP: 28.21
• TPSA: 525.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 11
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3007.62
LogP ≤ 5	28.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-7-bromoisochromen-1-one;7-bromo-3-(2-bromoacetyl)isochromen-1-one;7-bromo-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-bromo-3-(1-hydroxyethyl)isochromen-1-one;5-bromo-2-iodobenzoic acid;tert-butyl 4-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-1-oxoisochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;but-3-yn-2-ol;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one;3,5-dimethylpyrazin-2-amine;hydrobromide?

The IUPAC name of 3-acetyl-7-bromoisochromen-1-one;7-bromo-3-(2-bromoacetyl)isochromen-1-one;7-bromo-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-bromo-3-(1-hydroxyethyl)isochromen-1-one;5-bromo-2-iodobenzoic acid;tert-butyl 4-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-1-oxoisochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;but-3-yn-2-ol;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one;3,5-dimethylpyrazin-2-amine;hydrobromide (CID 159858438) is 3-acetyl-7-bromoisochromen-1-one;7-bromo-3-(2-bromoacetyl)isochromen-1-one;7-bromo-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-bromo-3-(1-hydroxyethyl)isochromen-1-one;5-bromo-2-iodobenzoic acid;tert-butyl 4-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-1-oxoisochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;but-3-yn-2-ol;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one;3,5-dimethylpyrazin-2-amine;hydrobromide.

What is the SMILES notation for 3-acetyl-7-bromoisochromen-1-one;7-bromo-3-(2-bromoacetyl)isochromen-1-one;7-bromo-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-bromo-3-(1-hydroxyethyl)isochromen-1-one;5-bromo-2-iodobenzoic acid;tert-butyl 4-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-1-oxoisochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;but-3-yn-2-ol;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one;3,5-dimethylpyrazin-2-amine;hydrobromide?

The canonical SMILES for 3-acetyl-7-bromoisochromen-1-one;7-bromo-3-(2-bromoacetyl)isochromen-1-one;7-bromo-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-bromo-3-(1-hydroxyethyl)isochromen-1-one;5-bromo-2-iodobenzoic acid;tert-butyl 4-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-1-oxoisochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;but-3-yn-2-ol;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one;3,5-dimethylpyrazin-2-amine;hydrobromide is Br.C#CC(C)O.CC(=O)c1cc2ccc(Br)cc2c(=O)o1.CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(O)c1cc2ccc(Br)cc2c(=O)o1.Cc1cn2cc(-c3cc4ccc(Br)cc4c(=O)o3)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(C5=CCN(C(=O)OC(C)(C)C)CC5)cc4c(=O)o3)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(C5=CCNCC5)cc4c(=O)o3)nc2c(C)n1.Cc1cnc(N)c(C)n1.O=C(CBr)c1cc2ccc(Br)cc2c(=O)o1.O=C(O)c1cc(Br)ccc1I.

What is the InChIKey of 3-acetyl-7-bromoisochromen-1-one;7-bromo-3-(2-bromoacetyl)isochromen-1-one;7-bromo-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-bromo-3-(1-hydroxyethyl)isochromen-1-one;5-bromo-2-iodobenzoic acid;tert-butyl 4-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-1-oxoisochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;but-3-yn-2-ol;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one;3,5-dimethylpyrazin-2-amine;hydrobromide?

The InChIKey is IEVWUXCOVADCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4.C22H20N4O2.C17H12BrN3O2.C16H28BNO4.C11H6Br2O3.C11H9BrO3.C11H7BrO3.C7H4BrIO2.C6H9N3.C4H6O.BrH/c1-16-14-31-15-22(29-24(31)17(2)28-16)23-13-20-7-6-19(12-21(20)25(32)34-23)18-8-10-30(11-9-18)26(33)35-27(3,4)5;1-13-11-26-12-19(25-21(26)14(2)24-13)20-10-17-4-3-16(9-18(17)22(27)28-20)15-5-7-23-8-6-15;1-9-7-21-8-14(20-16(21)10(2)19-9)15-5-11-3-4-12(18)6-13(11)17(22)23-15;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;12-5-9(14)10-3-6-1-2-7(13)4-8(6)11(15)16-10;2*1-6(13)10-4-7-2-3-8(12)5-9(7)11(14)15-10;8-4-1-2-6(9)5(3-4)7(10)11;1-4-3-8-6(7)5(2)9-4;1-3-4(2)5;/h6-8,12-15H,9-11H2,1-5H3;3-5,9-12,23H,6-8H2,1-2H3;3-8H,1-2H3;8H,9-11H2,1-7H3;1-4H,5H2;2-6,13H,1H3;2-5H,1H3;1-3H,(H,10,11);3H,1-2H3,(H2,7,8);1,4-5H,2H3;1H.

What are the key properties of 3-acetyl-7-bromoisochromen-1-one;7-bromo-3-(2-bromoacetyl)isochromen-1-one;7-bromo-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-bromo-3-(1-hydroxyethyl)isochromen-1-one;5-bromo-2-iodobenzoic acid;tert-butyl 4-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-1-oxoisochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;but-3-yn-2-ol;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one;3,5-dimethylpyrazin-2-amine;hydrobromide?

3-acetyl-7-bromoisochromen-1-one;7-bromo-3-(2-bromoacetyl)isochromen-1-one;7-bromo-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-bromo-3-(1-hydroxyethyl)isochromen-1-one;5-bromo-2-iodobenzoic acid;tert-butyl 4-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-1-oxoisochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;but-3-yn-2-ol;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one;3,5-dimethylpyrazin-2-amine;hydrobromide has a molecular weight of 3007.62 g/mol, XLogP of 28.21, 11 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetyl-7-bromoisochromen-1-one;7-bromo-3-(2-bromoacetyl)isochromen-1-one;7-bromo-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-bromo-3-(1-hydroxyethyl)isochromen-1-one;5-bromo-2-iodobenzoic acid;tert-butyl 4-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-1-oxoisochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;but-3-yn-2-ol;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one;3,5-dimethylpyrazin-2-amine;hydrobromide is sourced from PubChem (CID 159858438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).