[6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate

C80H82BBrN12O11 — CID 161017797

About [6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate

[6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate (PubChem CID 161017797) has the molecular formula C80H82BBrN12O11 and a molecular weight of 1478.32 g/mol. Its IUPAC name is [6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate.

Molecular Properties

• Compound Name: [6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate
• PubChem CID: 161017797
• Molecular Formula: C80H82BBrN12O11
• Molecular Weight: 1478.32 g/mol
• Exact Mass: 1476.55
• IUPAC Name: [6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate
• SMILES: CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cccc1N1CCc2cc(C3CC3)ccc2C1=O.O=C(c1ccc(Nc2cc(-c3cccc(N4CCc5cc(C6CC6)ccc5C4=O)c3CO)cn3ccnc23)nc1)N1CCOCC1.O=C(c1ccc(Nc2cc(Br)cn3ccnc23)nc1)N1CCOCC1
• InChI: InChI=1S/C36H34N6O4.C27H32BNO5.C17H16BrN5O2/c43-22-30-28(2-1-3-32(30)42-12-10-25-18-24(23-4-5-23)6-8-29(25)36(42)45)27-19-31(34-37-11-13-41(34)21-27)39-33-9-7-26(20-38-33)35(44)40-14-16-46-17-15-40;1-17(30)32-16-22-23(28-33-26(2,3)27(4,5)34-28)7-6-8-24(22)29-14-13-20-15-19(18-9-10-18)11-12-21(20)25(29)31;18-13-9-14(16-19-3-4-23(16)11-13)21-15-2-1-12(10-20-15)17(24)22-5-7-25-8-6-22/h1-3,6-9,11,13,18-21,23,43H,4-5,10,12,14-17,22H2,(H,38,39);6-8,11-12,15,18H,9-10,13-14,16H2,1-5H3;1-4,9-11H,5-8H2,(H,20,21)
• InChIKey: TXYMGJVMMJANKG-UHFFFAOYSA-N
• XLogP: 12.02
• TPSA: 249.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1478.32
LogP ≤ 5	12.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

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-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate?

The IUPAC name of [6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate (CID 161017797) is [6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate.

What is the SMILES notation for [6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate?

The canonical SMILES for [6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate is CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cccc1N1CCc2cc(C3CC3)ccc2C1=O.O=C(c1ccc(Nc2cc(-c3cccc(N4CCc5cc(C6CC6)ccc5C4=O)c3CO)cn3ccnc23)nc1)N1CCOCC1.O=C(c1ccc(Nc2cc(Br)cn3ccnc23)nc1)N1CCOCC1.

What is the InChIKey of [6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate?

The InChIKey is TXYMGJVMMJANKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N6O4.C27H32BNO5.C17H16BrN5O2/c43-22-30-28(2-1-3-32(30)42-12-10-25-18-24(23-4-5-23)6-8-29(25)36(42)45)27-19-31(34-37-11-13-41(34)21-27)39-33-9-7-26(20-38-33)35(44)40-14-16-46-17-15-40;1-17(30)32-16-22-23(28-33-26(2,3)27(4,5)34-28)7-6-8-24(22)29-14-13-20-15-19(18-9-10-18)11-12-21(20)25(29)31;18-13-9-14(16-19-3-4-23(16)11-13)21-15-2-1-12(10-20-15)17(24)22-5-7-25-8-6-22/h1-3,6-9,11,13,18-21,23,43H,4-5,10,12,14-17,22H2,(H,38,39);6-8,11-12,15,18H,9-10,13-14,16H2,1-5H3;1-4,9-11H,5-8H2,(H,20,21).

What are the key properties of [6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate?

[6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate has a molecular weight of 1478.32 g/mol, XLogP of 12.02, 15 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate is sourced from PubChem (CID 161017797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).