(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-iodo-[1,2,4]triazolo[1,5-a]pyridine;[2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)phenyl]methyl acetate;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methyl acetate;[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

C142H139BBr2F4IN29O19 — CID 159228499

About (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-iodo-[1,2,4]triazolo[1,5-a]pyridine;[2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)phenyl]methyl acetate;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methyl acetate;[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-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-iodo-[1,2,4]triazolo[1,5-a]pyridine;[2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)phenyl]methyl acetate;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methyl acetate;[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 (PubChem CID 159228499) has the molecular formula C142H139BBr2F4IN29O19 and a molecular weight of 2929.37 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-iodo-[1,2,4]triazolo[1,5-a]pyridine;[2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)phenyl]methyl acetate;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methyl acetate;[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.

Molecular Properties

• Compound Name: (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-iodo-[1,2,4]triazolo[1,5-a]pyridine;[2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)phenyl]methyl acetate;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methyl acetate;[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
• PubChem CID: 159228499
• Molecular Formula: C142H139BBr2F4IN29O19
• Molecular Weight: 2929.37 g/mol
• Exact Mass: 2925.82
• IUPAC Name: (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-iodo-[1,2,4]triazolo[1,5-a]pyridine;[2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)phenyl]methyl acetate;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methyl acetate;[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
• SMILES: Brc1cc(I)cn2ncnc12.CC(=O)OCc1c(-c2cc(Br)c3ncnn3c2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O.CC(=O)OCc1c(-c2cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c3ncnn3c2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O.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)c5ncnn5c4)c3CO)ncc2c1.Nc1ccc(C(=O)N2CCOCC2)cn1
• InChI: InChI=1S/C37H35FN8O5.C35H33FN8O4.C27H32BFN2O5.C27H23BrFN5O3.C10H13N3O2.C6H3BrIN3/c1-22(47)51-20-28-27(6-5-7-31(28)46-36(49)33-24(18-41-46)14-26(16-29(33)38)37(2,3)4)25-15-30(34-40-21-42-45(34)19-25)43-32-9-8-23(17-39-32)35(48)44-10-12-50-13-11-44;1-35(2,3)24-13-22-17-39-44(34(47)31(22)27(36)15-24)29-6-4-5-25(26(29)19-45)23-14-28(32-38-20-40-43(32)18-23)41-30-8-7-21(16-37-30)33(46)42-9-11-48-12-10-42;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;1-15(35)37-13-20-19(17-9-21(28)25-30-14-32-33(25)12-17)6-5-7-23(20)34-26(36)24-16(11-31-34)8-18(10-22(24)29)27(2,3)4;11-9-2-1-8(7-12-9)10(14)13-3-5-15-6-4-13;7-5-1-4(8)2-11-6(5)9-3-10-11/h5-9,14-19,21H,10-13,20H2,1-4H3,(H,39,43);4-8,13-18,20,45H,9-12,19H2,1-3H3,(H,37,41);9-14H,15H2,1-8H3;5-12,14H,13H2,1-4H3;1-2,7H,3-6H2,(H2,11,12);1-3H
• InChIKey: KSPASSTVCDMVPL-UHFFFAOYSA-N
• XLogP: 21.62
• TPSA: 555.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 45
• Rotatable Bonds: 22
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2929.37
LogP ≤ 5	21.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-iodo-[1,2,4]triazolo[1,5-a]pyridine;[2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)phenyl]methyl acetate;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methyl acetate;[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?

The IUPAC name of (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-iodo-[1,2,4]triazolo[1,5-a]pyridine;[2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)phenyl]methyl acetate;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methyl acetate;[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 (CID 159228499) is (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-iodo-[1,2,4]triazolo[1,5-a]pyridine;[2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)phenyl]methyl acetate;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methyl acetate;[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.

What is the SMILES notation for (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-iodo-[1,2,4]triazolo[1,5-a]pyridine;[2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)phenyl]methyl acetate;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methyl acetate;[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?

The canonical SMILES for (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-iodo-[1,2,4]triazolo[1,5-a]pyridine;[2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)phenyl]methyl acetate;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methyl acetate;[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 is Brc1cc(I)cn2ncnc12.CC(=O)OCc1c(-c2cc(Br)c3ncnn3c2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O.CC(=O)OCc1c(-c2cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c3ncnn3c2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O.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)c5ncnn5c4)c3CO)ncc2c1.Nc1ccc(C(=O)N2CCOCC2)cn1.

What is the InChIKey of (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-iodo-[1,2,4]triazolo[1,5-a]pyridine;[2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)phenyl]methyl acetate;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methyl acetate;[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?

The InChIKey is KSPASSTVCDMVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35FN8O5.C35H33FN8O4.C27H32BFN2O5.C27H23BrFN5O3.C10H13N3O2.C6H3BrIN3/c1-22(47)51-20-28-27(6-5-7-31(28)46-36(49)33-24(18-41-46)14-26(16-29(33)38)37(2,3)4)25-15-30(34-40-21-42-45(34)19-25)43-32-9-8-23(17-39-32)35(48)44-10-12-50-13-11-44;1-35(2,3)24-13-22-17-39-44(34(47)31(22)27(36)15-24)29-6-4-5-25(26(29)19-45)23-14-28(32-38-20-40-43(32)18-23)41-30-8-7-21(16-37-30)33(46)42-9-11-48-12-10-42;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;1-15(35)37-13-20-19(17-9-21(28)25-30-14-32-33(25)12-17)6-5-7-23(20)34-26(36)24-16(11-31-34)8-18(10-22(24)29)27(2,3)4;11-9-2-1-8(7-12-9)10(14)13-3-5-15-6-4-13;7-5-1-4(8)2-11-6(5)9-3-10-11/h5-9,14-19,21H,10-13,20H2,1-4H3,(H,39,43);4-8,13-18,20,45H,9-12,19H2,1-3H3,(H,37,41);9-14H,15H2,1-8H3;5-12,14H,13H2,1-4H3;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-iodo-[1,2,4]triazolo[1,5-a]pyridine;[2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)phenyl]methyl acetate;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methyl acetate;[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-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-iodo-[1,2,4]triazolo[1,5-a]pyridine;[2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)phenyl]methyl acetate;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methyl acetate;[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 has a molecular weight of 2929.37 g/mol, XLogP of 21.62, 22 rotatable bonds, 4 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;8-bromo-6-iodo-[1,2,4]triazolo[1,5-a]pyridine;[2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)phenyl]methyl acetate;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methyl acetate;[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 is sourced from PubChem (CID 159228499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).