(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-chloroimidazo[1,2-b]pyridazine;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

C94H96BBrCl2F2N22O13 — CID 158397369

About (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-chloroimidazo[1,2-b]pyridazine;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-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-chloroimidazo[1,2-b]pyridazine;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 158397369) has the molecular formula C94H96BBrCl2F2N22O13 and a molecular weight of 1941.56 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-chloroimidazo[1,2-b]pyridazine;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-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-chloroimidazo[1,2-b]pyridazine;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: 158397369
• Molecular Formula: C94H96BBrCl2F2N22O13
• Molecular Weight: 1941.56 g/mol
• Exact Mass: 1938.61
• IUPAC Name: (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-chloroimidazo[1,2-b]pyridazine;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.Clc1cc(Br)c2nccn2n1.Nc1ccc(C(=O)N2CCOCC2)cn1.O=C(c1ccc(Nc2cc(Cl)nn3ccnc23)nc1)N1CCOCC1
• InChI: InChI=1S/C35H33FN8O4.C27H32BFN2O5.C16H15ClN6O2.C10H13N3O2.C6H3BrClN3/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;11-9-2-1-8(7-12-9)10(14)13-3-5-15-6-4-13;7-4-3-5(8)10-11-2-1-9-6(4)11/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);1-2,7H,3-6H2,(H2,11,12);1-3H
• InChIKey: GXRFUQPIJSFZHI-UHFFFAOYSA-N
• XLogP: 13.10
• TPSA: 402.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 14
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1941.56
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-chloroimidazo[1,2-b]pyridazine;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-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-chloroimidazo[1,2-b]pyridazine;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 158397369) is (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-chloroimidazo[1,2-b]pyridazine;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-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-chloroimidazo[1,2-b]pyridazine;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-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-chloroimidazo[1,2-b]pyridazine;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.Clc1cc(Br)c2nccn2n1.Nc1ccc(C(=O)N2CCOCC2)cn1.O=C(c1ccc(Nc2cc(Cl)nn3ccnc23)nc1)N1CCOCC1.

What is the InChIKey of (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-chloroimidazo[1,2-b]pyridazine;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 GXRFUQPIJSFZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33FN8O4.C27H32BFN2O5.C16H15ClN6O2.C10H13N3O2.C6H3BrClN3/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;11-9-2-1-8(7-12-9)10(14)13-3-5-15-6-4-13;7-4-3-5(8)10-11-2-1-9-6(4)11/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);1-2,7H,3-6H2,(H2,11,12);1-3H.

What are the key properties of (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-chloroimidazo[1,2-b]pyridazine;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-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-chloroimidazo[1,2-b]pyridazine;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 1941.56 g/mol, XLogP of 13.10, 14 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-chloroimidazo[1,2-b]pyridazine;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 158397369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).