6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;[6-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone

C78H80BClF2N16O11 — CID 157154580

About 6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;[6-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone

6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;[6-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 157154580) has the molecular formula C78H80BClF2N16O11 and a molecular weight of 1501.86 g/mol. Its IUPAC name is 6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;[6-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: 6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;[6-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone
• PubChem CID: 157154580
• Molecular Formula: C78H80BClF2N16O11
• Molecular Weight: 1501.86 g/mol
• Exact Mass: 1500.59
• IUPAC Name: 6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;[6-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone
• SMILES: CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O.CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-c4cc(Nc5ccc(C(=O)N6CCOCC6)cn5)c5nccn5n4)c3CO)ncc2c1.O=C(c1ccc(Nc2cc(Cl)nn3ccnc23)nc1)N1CCOCC1
• InChI: InChI=1S/C35H33FN8O4.C27H32BFN2O5.C16H15ClN6O2/c1-35(2,3)23-15-22-19-39-44(34(47)31(22)26(36)16-23)29-6-4-5-24(25(29)20-45)27-17-28(32-37-9-10-43(32)41-27)40-30-8-7-21(18-38-30)33(46)42-11-13-48-14-12-42;1-16(32)34-15-19-20(28-35-26(5,6)27(7,8)36-28)10-9-11-22(19)31-24(33)23-17(14-30-31)12-18(13-21(23)29)25(2,3)4;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/h4-10,15-19,45H,11-14,20H2,1-3H3,(H,38,40);9-14H,15H2,1-8H3;1-4,9-10H,5-8H2,(H,19,20)
• InChIKey: ALQUDIUILAHLBQ-UHFFFAOYSA-N
• XLogP: 10.81
• TPSA: 304.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 13
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1501.86
LogP ≤ 5	10.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;[6-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone?

The IUPAC name of 6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;[6-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 157154580) is 6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;[6-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone.

What is the SMILES notation for 6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;[6-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone?

The canonical SMILES for 6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;[6-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone is CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O.CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-c4cc(Nc5ccc(C(=O)N6CCOCC6)cn5)c5nccn5n4)c3CO)ncc2c1.O=C(c1ccc(Nc2cc(Cl)nn3ccnc23)nc1)N1CCOCC1.

What is the InChIKey of 6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;[6-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone?

The InChIKey is ALQUDIUILAHLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33FN8O4.C27H32BFN2O5.C16H15ClN6O2/c1-35(2,3)23-15-22-19-39-44(34(47)31(22)26(36)16-23)29-6-4-5-24(25(29)20-45)27-17-28(32-37-9-10-43(32)41-27)40-30-8-7-21(18-38-30)33(46)42-11-13-48-14-12-42;1-16(32)34-15-19-20(28-35-26(5,6)27(7,8)36-28)10-9-11-22(19)31-24(33)23-17(14-30-31)12-18(13-21(23)29)25(2,3)4;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/h4-10,15-19,45H,11-14,20H2,1-3H3,(H,38,40);9-14H,15H2,1-8H3;1-4,9-10H,5-8H2,(H,19,20).

What are the key properties of 6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;[6-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone?

6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;[6-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 1501.86 g/mol, XLogP of 10.81, 13 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;[6-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 157154580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).