5-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2-N,2-N-diethylpyridine-2,5-diamine;6-cyclopropyl-2-[3-[8-[[6-(diethylamino)-3-pyridinyl]amino]imidazo[1,2-a]pyrazin-6-yl]-2-(hydroxymethyl)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

C76H84BBrN14O7 — CID 157120341

About 5-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2-N,2-N-diethylpyridine-2,5-diamine;6-cyclopropyl-2-[3-[8-[[6-(diethylamino)-3-pyridinyl]amino]imidazo[1,2-a]pyrazin-6-yl]-2-(hydroxymethyl)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

5-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2-N,2-N-diethylpyridine-2,5-diamine;6-cyclopropyl-2-[3-[8-[[6-(diethylamino)-3-pyridinyl]amino]imidazo[1,2-a]pyrazin-6-yl]-2-(hydroxymethyl)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 157120341) has the molecular formula C76H84BBrN14O7 and a molecular weight of 1396.31 g/mol. Its IUPAC name is 5-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2-N,2-N-diethylpyridine-2,5-diamine;6-cyclopropyl-2-[3-[8-[[6-(diethylamino)-3-pyridinyl]amino]imidazo[1,2-a]pyrazin-6-yl]-2-(hydroxymethyl)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: 5-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2-N,2-N-diethylpyridine-2,5-diamine;6-cyclopropyl-2-[3-[8-[[6-(diethylamino)-3-pyridinyl]amino]imidazo[1,2-a]pyrazin-6-yl]-2-(hydroxymethyl)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: 157120341
• Molecular Formula: C76H84BBrN14O7
• Molecular Weight: 1396.31 g/mol
• Exact Mass: 1394.59
• IUPAC Name: 5-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2-N,2-N-diethylpyridine-2,5-diamine;6-cyclopropyl-2-[3-[8-[[6-(diethylamino)-3-pyridinyl]amino]imidazo[1,2-a]pyrazin-6-yl]-2-(hydroxymethyl)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.CCN(CC)c1ccc(Nc2nc(-c3cccc(N4CCc5cc(C6CC6)ccc5C4=O)c3CO)cn3ccnc23)cn1.CCN(CC)c1ccc(Nc2nc(Br)cn3ccnc23)cn1
• InChI: InChI=1S/C34H35N7O2.C27H32BNO5.C15H17BrN6/c1-3-39(4-2)31-13-11-25(19-36-31)37-32-33-35-15-17-40(33)20-29(38-32)27-6-5-7-30(28(27)21-42)41-16-14-24-18-23(22-8-9-22)10-12-26(24)34(41)43;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;1-3-21(4-2)13-6-5-11(9-18-13)19-14-15-17-7-8-22(15)10-12(16)20-14/h5-7,10-13,15,17-20,22,42H,3-4,8-9,14,16,21H2,1-2H3,(H,37,38);6-8,11-12,15,18H,9-10,13-14,16H2,1-5H3;5-10H,3-4H2,1-2H3,(H,19,20)
• InChIKey: AHWWWARBGACZKP-UHFFFAOYSA-N
• XLogP: 13.56
• TPSA: 222.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1396.31
LogP ≤ 5	13.56
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 5-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2-N,2-N-diethylpyridine-2,5-diamine;6-cyclopropyl-2-[3-[8-[[6-(diethylamino)-3-pyridinyl]amino]imidazo[1,2-a]pyrazin-6-yl]-2-(hydroxymethyl)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 5-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2-N,2-N-diethylpyridine-2,5-diamine;6-cyclopropyl-2-[3-[8-[[6-(diethylamino)-3-pyridinyl]amino]imidazo[1,2-a]pyrazin-6-yl]-2-(hydroxymethyl)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 157120341) is 5-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2-N,2-N-diethylpyridine-2,5-diamine;6-cyclopropyl-2-[3-[8-[[6-(diethylamino)-3-pyridinyl]amino]imidazo[1,2-a]pyrazin-6-yl]-2-(hydroxymethyl)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 5-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2-N,2-N-diethylpyridine-2,5-diamine;6-cyclopropyl-2-[3-[8-[[6-(diethylamino)-3-pyridinyl]amino]imidazo[1,2-a]pyrazin-6-yl]-2-(hydroxymethyl)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 5-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2-N,2-N-diethylpyridine-2,5-diamine;6-cyclopropyl-2-[3-[8-[[6-(diethylamino)-3-pyridinyl]amino]imidazo[1,2-a]pyrazin-6-yl]-2-(hydroxymethyl)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.CCN(CC)c1ccc(Nc2nc(-c3cccc(N4CCc5cc(C6CC6)ccc5C4=O)c3CO)cn3ccnc23)cn1.CCN(CC)c1ccc(Nc2nc(Br)cn3ccnc23)cn1.

What is the InChIKey of 5-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2-N,2-N-diethylpyridine-2,5-diamine;6-cyclopropyl-2-[3-[8-[[6-(diethylamino)-3-pyridinyl]amino]imidazo[1,2-a]pyrazin-6-yl]-2-(hydroxymethyl)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 AHWWWARBGACZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N7O2.C27H32BNO5.C15H17BrN6/c1-3-39(4-2)31-13-11-25(19-36-31)37-32-33-35-15-17-40(33)20-29(38-32)27-6-5-7-30(28(27)21-42)41-16-14-24-18-23(22-8-9-22)10-12-26(24)34(41)43;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;1-3-21(4-2)13-6-5-11(9-18-13)19-14-15-17-7-8-22(15)10-12(16)20-14/h5-7,10-13,15,17-20,22,42H,3-4,8-9,14,16,21H2,1-2H3,(H,37,38);6-8,11-12,15,18H,9-10,13-14,16H2,1-5H3;5-10H,3-4H2,1-2H3,(H,19,20).

What are the key properties of 5-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2-N,2-N-diethylpyridine-2,5-diamine;6-cyclopropyl-2-[3-[8-[[6-(diethylamino)-3-pyridinyl]amino]imidazo[1,2-a]pyrazin-6-yl]-2-(hydroxymethyl)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?

5-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2-N,2-N-diethylpyridine-2,5-diamine;6-cyclopropyl-2-[3-[8-[[6-(diethylamino)-3-pyridinyl]amino]imidazo[1,2-a]pyrazin-6-yl]-2-(hydroxymethyl)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 1396.31 g/mol, XLogP of 13.56, 19 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2-N,2-N-diethylpyridine-2,5-diamine;6-cyclopropyl-2-[3-[8-[[6-(diethylamino)-3-pyridinyl]amino]imidazo[1,2-a]pyrazin-6-yl]-2-(hydroxymethyl)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 157120341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).