6-bromo-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]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

C76H80BBrN14O9 — CID 159734941

About 6-bromo-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]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

6-bromo-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]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 159734941) has the molecular formula C76H80BBrN14O9 and a molecular weight of 1424.28 g/mol. Its IUPAC name is 6-bromo-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]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: 6-bromo-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]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: 159734941
• Molecular Formula: C76H80BBrN14O9
• Molecular Weight: 1424.28 g/mol
• Exact Mass: 1422.55
• IUPAC Name: 6-bromo-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]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: Brc1cn2ccnc2c(Nc2ccc(N3CCOCC3)nc2)n1.CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cccc1N1CCc2cc(C3CC3)ccc2C1=O.O=C1c2ccc(C3CC3)cc2CCN1c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)nc3)n2)c1CO
• InChI: InChI=1S/C34H33N7O3.C27H32BNO5.C15H15BrN6O/c42-21-28-27(2-1-3-30(28)41-12-10-24-18-23(22-4-5-22)6-8-26(24)34(41)43)29-20-40-13-11-35-33(40)32(38-29)37-25-7-9-31(36-19-25)39-14-16-44-17-15-39;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;16-12-10-22-4-3-17-15(22)14(20-12)19-11-1-2-13(18-9-11)21-5-7-23-8-6-21/h1-3,6-9,11,13,18-20,22,42H,4-5,10,12,14-17,21H2,(H,37,38);6-8,11-12,15,18H,9-10,13-14,16H2,1-5H3;1-4,9-10H,5-8H2,(H,19,20)
• InChIKey: NBSGIGKCRZCBEH-UHFFFAOYSA-N
• XLogP: 11.54
• TPSA: 240.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1424.28
LogP ≤ 5	11.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]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 6-bromo-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]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 159734941) is 6-bromo-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]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 6-bromo-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]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 6-bromo-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]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 Brc1cn2ccnc2c(Nc2ccc(N3CCOCC3)nc2)n1.CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cccc1N1CCc2cc(C3CC3)ccc2C1=O.O=C1c2ccc(C3CC3)cc2CCN1c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)nc3)n2)c1CO.

What is the InChIKey of 6-bromo-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]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 NBSGIGKCRZCBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N7O3.C27H32BNO5.C15H15BrN6O/c42-21-28-27(2-1-3-30(28)41-12-10-24-18-23(22-4-5-22)6-8-26(24)34(41)43)29-20-40-13-11-35-33(40)32(38-29)37-25-7-9-31(36-19-25)39-14-16-44-17-15-39;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;16-12-10-22-4-3-17-15(22)14(20-12)19-11-1-2-13(18-9-11)21-5-7-23-8-6-21/h1-3,6-9,11,13,18-20,22,42H,4-5,10,12,14-17,21H2,(H,37,38);6-8,11-12,15,18H,9-10,13-14,16H2,1-5H3;1-4,9-10H,5-8H2,(H,19,20).

What are the key properties of 6-bromo-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]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?

6-bromo-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]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 1424.28 g/mol, XLogP of 11.54, 15 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]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 159734941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).