[6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-cyclopropyl-3,4-dihydroisoquinolin-1-one;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one

C82H92BBrN14O10Si — CID 158888243

About [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-cyclopropyl-3,4-dihydroisoquinolin-1-one;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one

[6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-cyclopropyl-3,4-dihydroisoquinolin-1-one;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one (PubChem CID 158888243) has the molecular formula C82H92BBrN14O10Si and a molecular weight of 1552.53 g/mol. Its IUPAC name is [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-cyclopropyl-3,4-dihydroisoquinolin-1-one;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

• Compound Name: [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-cyclopropyl-3,4-dihydroisoquinolin-1-one;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one
• PubChem CID: 158888243
• Molecular Formula: C82H92BBrN14O10Si
• Molecular Weight: 1552.53 g/mol
• Exact Mass: 1550.62
• IUPAC Name: [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-cyclopropyl-3,4-dihydroisoquinolin-1-one;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one
• SMILES: CC1(C)OB(c2cccc(N3CCc4cc(C5CC5)ccc4C3=O)c2CO[Si](C)(C)C(C)(C)C)OC1(C)C.O=C(c1ccc(Nc2cc(-c3cccc(N4CCc5cc(C6CC6)ccc5C4=O)c3CO)nn3ccnc23)nc1)N1CCOCC1.O=C(c1ccc(Nc2cc(Br)nn3ccnc23)nc1)N1CCOCC1
• InChI: InChI=1S/C35H33N7O4.C31H44BNO4Si.C16H15BrN6O2/c43-21-28-27(2-1-3-31(28)41-12-10-24-18-23(22-4-5-22)6-8-26(24)35(41)45)29-19-30(33-36-11-13-42(33)39-29)38-32-9-7-25(20-37-32)34(44)40-14-16-46-17-15-40;1-29(2,3)38(8,9)35-20-25-26(32-36-30(4,5)31(6,7)37-32)11-10-12-27(25)33-18-17-23-19-22(21-13-14-21)15-16-24(23)28(33)34;17-13-9-12(15-18-3-4-23(15)21-13)20-14-2-1-11(10-19-14)16(24)22-5-7-25-8-6-22/h1-3,6-9,11,13,18-20,22,43H,4-5,10,12,14-17,21H2,(H,37,38);10-12,15-16,19,21H,13-14,17-18,20H2,1-9H3;1-4,9-10H,5-8H2,(H,19,20)
• InChIKey: JDWWYPCDQIVWQB-UHFFFAOYSA-N
• XLogP: 13.27
• TPSA: 257.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1552.53
LogP ≤ 5	13.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-cyclopropyl-3,4-dihydroisoquinolin-1-one;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one?

The IUPAC name of [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-cyclopropyl-3,4-dihydroisoquinolin-1-one;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one (CID 158888243) is [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-cyclopropyl-3,4-dihydroisoquinolin-1-one;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one.

What is the SMILES notation for [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-cyclopropyl-3,4-dihydroisoquinolin-1-one;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one?

The canonical SMILES for [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-cyclopropyl-3,4-dihydroisoquinolin-1-one;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one is CC1(C)OB(c2cccc(N3CCc4cc(C5CC5)ccc4C3=O)c2CO[Si](C)(C)C(C)(C)C)OC1(C)C.O=C(c1ccc(Nc2cc(-c3cccc(N4CCc5cc(C6CC6)ccc5C4=O)c3CO)nn3ccnc23)nc1)N1CCOCC1.O=C(c1ccc(Nc2cc(Br)nn3ccnc23)nc1)N1CCOCC1.

What is the InChIKey of [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-cyclopropyl-3,4-dihydroisoquinolin-1-one;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one?

The InChIKey is JDWWYPCDQIVWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N7O4.C31H44BNO4Si.C16H15BrN6O2/c43-21-28-27(2-1-3-31(28)41-12-10-24-18-23(22-4-5-22)6-8-26(24)35(41)45)29-19-30(33-36-11-13-42(33)39-29)38-32-9-7-25(20-37-32)34(44)40-14-16-46-17-15-40;1-29(2,3)38(8,9)35-20-25-26(32-36-30(4,5)31(6,7)37-32)11-10-12-27(25)33-18-17-23-19-22(21-13-14-21)15-16-24(23)28(33)34;17-13-9-12(15-18-3-4-23(15)21-13)20-14-2-1-11(10-19-14)16(24)22-5-7-25-8-6-22/h1-3,6-9,11,13,18-20,22,43H,4-5,10,12,14-17,21H2,(H,37,38);10-12,15-16,19,21H,13-14,17-18,20H2,1-9H3;1-4,9-10H,5-8H2,(H,19,20).

What are the key properties of [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-cyclopropyl-3,4-dihydroisoquinolin-1-one;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one?

[6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-cyclopropyl-3,4-dihydroisoquinolin-1-one;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 1552.53 g/mol, XLogP of 13.27, 16 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-cyclopropyl-3,4-dihydroisoquinolin-1-one;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 158888243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).