[6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methoxy]silane;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-b]pyridazin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;bis(yttrium)

C59H72BBrN12O8SiY2-2 — CID 158896100

About [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methoxy]silane;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-b]pyridazin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;bis(yttrium)

[6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methoxy]silane;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-b]pyridazin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;bis(yttrium) (PubChem CID 158896100) has the molecular formula C59H72BBrN12O8SiY2-2 and a molecular weight of 1373.91 g/mol. Its IUPAC name is [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methoxy]silane;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-b]pyridazin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;bis(yttrium).

Molecular Properties

• Compound Name: [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methoxy]silane;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-b]pyridazin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;bis(yttrium)
• PubChem CID: 158896100
• Molecular Formula: C59H72BBrN12O8SiY2-2
• Molecular Weight: 1373.91 g/mol
• Exact Mass: 1372.28
• IUPAC Name: [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methoxy]silane;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-b]pyridazin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;bis(yttrium)
• SMILES: C.CC1(C)OB(c2ccc[c-]c2CO[Si](C)(C)C(C)(C)C)OC1(C)C.O=C(c1ccc(Nc2cc(-c3ccc[c-]c3CO)nn3ccnc23)nc1)N1CCOCC1.O=C(c1ccc(Nc2cc(Br)nn3ccnc23)nc1)N1CCOCC1.[Y].[Y]
• InChI: InChI=1S/C23H21N6O3.C19H32BO3Si.C16H15BrN6O2.CH4.2Y/c30-15-17-3-1-2-4-18(17)19-13-20(22-24-7-8-29(22)27-19)26-21-6-5-16(14-25-21)23(31)28-9-11-32-12-10-28;1-17(2,3)24(8,9)21-14-15-12-10-11-13-16(15)20-22-18(4,5)19(6,7)23-20;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;;;/h1-2,4-8,13-14,30H,9-12,15H2,(H,25,26);10-11,13H,14H2,1-9H3;1-4,9-10H,5-8H2,(H,19,20);1H4;;/q2*-1
• InChIKey: SIXVREACEPHQSM-UHFFFAOYSA-N
• XLogP: 9.34
• TPSA: 217.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1373.91
LogP ≤ 5	9.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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;tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methoxy]silane;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-b]pyridazin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;bis(yttrium)?

The IUPAC name of [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methoxy]silane;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-b]pyridazin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;bis(yttrium) (CID 158896100) is [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methoxy]silane;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-b]pyridazin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;bis(yttrium).

What is the SMILES notation for [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methoxy]silane;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-b]pyridazin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;bis(yttrium)?

The canonical SMILES for [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methoxy]silane;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-b]pyridazin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;bis(yttrium) is C.CC1(C)OB(c2ccc[c-]c2CO[Si](C)(C)C(C)(C)C)OC1(C)C.O=C(c1ccc(Nc2cc(-c3ccc[c-]c3CO)nn3ccnc23)nc1)N1CCOCC1.O=C(c1ccc(Nc2cc(Br)nn3ccnc23)nc1)N1CCOCC1.[Y].[Y].

What is the InChIKey of [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methoxy]silane;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-b]pyridazin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;bis(yttrium)?

The InChIKey is SIXVREACEPHQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N6O3.C19H32BO3Si.C16H15BrN6O2.CH4.2Y/c30-15-17-3-1-2-4-18(17)19-13-20(22-24-7-8-29(22)27-19)26-21-6-5-16(14-25-21)23(31)28-9-11-32-12-10-28;1-17(2,3)24(8,9)21-14-15-12-10-11-13-16(15)20-22-18(4,5)19(6,7)23-20;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;;;/h1-2,4-8,13-14,30H,9-12,15H2,(H,25,26);10-11,13H,14H2,1-9H3;1-4,9-10H,5-8H2,(H,19,20);1H4;;/q2*-1;;;;.

What are the key properties of [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methoxy]silane;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-b]pyridazin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;bis(yttrium)?

[6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methoxy]silane;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-b]pyridazin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;bis(yttrium) has a molecular weight of 1373.91 g/mol, XLogP of 9.34, 12 rotatable bonds, 3 hydrogen bond donors, and 18 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;tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methoxy]silane;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-b]pyridazin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;bis(yttrium) is sourced from PubChem (CID 158896100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).