[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate

C80H82BBrN12O11 — CID 160790347

About [4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate

[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate (PubChem CID 160790347) has the molecular formula C80H82BBrN12O11 and a molecular weight of 1478.32 g/mol. Its IUPAC name is [4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate.

Molecular Properties

• Compound Name: [4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate
• PubChem CID: 160790347
• Molecular Formula: C80H82BBrN12O11
• Molecular Weight: 1478.32 g/mol
• Exact Mass: 1476.55
• IUPAC Name: [4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate
• SMILES: CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cccc1N1CCc2cc(C3CC3)ccc2C1=O.O=C(c1ccc(Nc2nc(-c3cccc(N4CCc5cc(C6CC6)ccc5C4=O)c3CO)cn3ccnc23)cc1)N1CCOCC1.O=C(c1ccc(Nc2nc(Br)cn3ccnc23)cc1)N1CCOCC1
• InChI: InChI=1S/C36H34N6O4.C27H32BNO5.C17H16BrN5O2/c43-22-30-29(2-1-3-32(30)42-14-12-26-20-25(23-4-5-23)8-11-28(26)36(42)45)31-21-41-15-13-37-34(41)33(39-31)38-27-9-6-24(7-10-27)35(44)40-16-18-46-19-17-40;1-17(30)32-16-22-23(28-33-26(2,3)27(4,5)34-28)7-6-8-24(22)29-14-13-20-15-19(18-9-10-18)11-12-21(20)25(29)31;18-14-11-23-6-5-19-16(23)15(21-14)20-13-3-1-12(2-4-13)17(24)22-7-9-25-10-8-22/h1-3,6-11,13,15,20-21,23,43H,4-5,12,14,16-19,22H2,(H,38,39);6-8,11-12,15,18H,9-10,13-14,16H2,1-5H3;1-6,11H,7-10H2,(H,20,21)
• InChIKey: SBTDMKNOVTYCQZ-UHFFFAOYSA-N
• XLogP: 12.02
• TPSA: 249.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1478.32
LogP ≤ 5	12.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate?

The IUPAC name of [4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate (CID 160790347) is [4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate.

What is the SMILES notation for [4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate?

The canonical SMILES for [4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate is CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cccc1N1CCc2cc(C3CC3)ccc2C1=O.O=C(c1ccc(Nc2nc(-c3cccc(N4CCc5cc(C6CC6)ccc5C4=O)c3CO)cn3ccnc23)cc1)N1CCOCC1.O=C(c1ccc(Nc2nc(Br)cn3ccnc23)cc1)N1CCOCC1.

What is the InChIKey of [4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate?

The InChIKey is SBTDMKNOVTYCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N6O4.C27H32BNO5.C17H16BrN5O2/c43-22-30-29(2-1-3-32(30)42-14-12-26-20-25(23-4-5-23)8-11-28(26)36(42)45)31-21-41-15-13-37-34(41)33(39-31)38-27-9-6-24(7-10-27)35(44)40-16-18-46-19-17-40;1-17(30)32-16-22-23(28-33-26(2,3)27(4,5)34-28)7-6-8-24(22)29-14-13-20-15-19(18-9-10-18)11-12-21(20)25(29)31;18-14-11-23-6-5-19-16(23)15(21-14)20-13-3-1-12(2-4-13)17(24)22-7-9-25-10-8-22/h1-3,6-11,13,15,20-21,23,43H,4-5,12,14,16-19,22H2,(H,38,39);6-8,11-12,15,18H,9-10,13-14,16H2,1-5H3;1-6,11H,7-10H2,(H,20,21).

What are the key properties of [4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate?

[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate has a molecular weight of 1478.32 g/mol, XLogP of 12.02, 15 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate is sourced from PubChem (CID 160790347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).