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

C78H84BBrN14O11 — CID 161305305

About [6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-1-oxo-3,4-dihydroisoquinolin-2-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate (PubChem CID 161305305) has the molecular formula C78H84BBrN14O11 and a molecular weight of 1484.33 g/mol. Its IUPAC name is [6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-1-oxo-3,4-dihydroisoquinolin-2-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate
• PubChem CID: 161305305
• Molecular Formula: C78H84BBrN14O11
• Molecular Weight: 1484.33 g/mol
• Exact Mass: 1482.57
• IUPAC Name: [6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6-(dimethylamino)-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-(dimethylamino)-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(N(C)C)ccc2C1=O.CN(C)c1ccc2c(c1)CCN(c1cccc(-c3cc(Nc4ccc(C(=O)N5CCOCC5)cn4)c4nccn4c3)c1CO)C2=O.O=C(c1ccc(Nc2cc(Br)cn3ccnc23)nc1)N1CCOCC1
• InChI: InChI=1S/C35H35N7O4.C26H33BN2O5.C17H16BrN5O2/c1-39(2)26-7-8-28-23(18-26)10-12-42(35(28)45)31-5-3-4-27(29(31)22-43)25-19-30(33-36-11-13-41(33)21-25)38-32-9-6-24(20-37-32)34(44)40-14-16-46-17-15-40;1-17(30)32-16-21-22(27-33-25(2,3)26(4,5)34-27)9-8-10-23(21)29-14-13-18-15-19(28(6)7)11-12-20(18)24(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/h3-9,11,13,18-21,43H,10,12,14-17,22H2,1-2H3,(H,37,38);8-12,15H,13-14,16H2,1-7H3;1-4,9-11H,5-8H2,(H,20,21)
• InChIKey: VIDYQXSPTUZDNO-UHFFFAOYSA-N
• XLogP: 10.40
• TPSA: 255.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1484.33
LogP ≤ 5	10.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

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-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-1-oxo-3,4-dihydroisoquinolin-2-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate (CID 161305305) is [6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-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(N(C)C)ccc2C1=O.CN(C)c1ccc2c(c1)CCN(c1cccc(-c3cc(Nc4ccc(C(=O)N5CCOCC5)cn4)c4nccn4c3)c1CO)C2=O.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-(dimethylamino)-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-(dimethylamino)-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 VIDYQXSPTUZDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N7O4.C26H33BN2O5.C17H16BrN5O2/c1-39(2)26-7-8-28-23(18-26)10-12-42(35(28)45)31-5-3-4-27(29(31)22-43)25-19-30(33-36-11-13-41(33)21-25)38-32-9-6-24(20-37-32)34(44)40-14-16-46-17-15-40;1-17(30)32-16-21-22(27-33-25(2,3)26(4,5)34-27)9-8-10-23(21)29-14-13-18-15-19(28(6)7)11-12-20(18)24(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/h3-9,11,13,18-21,43H,10,12,14-17,22H2,1-2H3,(H,37,38);8-12,15H,13-14,16H2,1-7H3;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-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-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 1484.33 g/mol, XLogP of 10.40, 15 rotatable bonds, 3 hydrogen bond donors, and 21 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-(dimethylamino)-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-(dimethylamino)-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 161305305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).