[6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methyl acetate;bis(yttrium)

C57H62BBrN10O9Y2-2 — CID 158674572

IUPAC[6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methyl acetate;bis(yttrium)
SMILESC.CC(=O)OCc1[c-]cccc1B1OC(C)(C)C(C)(C)O1.O=C(c1ccc(Nc2cc(-c3ccc[c-]c3CO)cn3ccnc23)nc1)N1CCOCC1.O=C(c1ccc(Nc2cc(Br)cn3ccnc23)nc1)N1CCOCC1.[Y].[Y]
InChIInChI=1S/C24H22N5O3.C17H16BrN5O2.C15H20BO4.CH4.2Y/c30-16-18-3-1-2-4-20(18)19-13-21(23-25-7-8-29(23)15-19)27-22-6-5-17(14-26-22)24(31)28-9-11-32-12-10-28;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;1-11(17)18-10-12-8-6-7-9-13(12)16-19-14(2,3)15(4,5)20-16;;;/h1-2,4-8,13-15,30H,9-12,16H2,(H,26,27);1-4,9-11H,5-8H2,(H,20,21);6-7,9H,10H2,1-5H3;1H4;;/q-1;;-1;;;
InChIKeyLKGIGQDUKQRYPC-UHFFFAOYSA-N
MW1299.71 g/mol
LogP8.09
Rot. Bonds11

About [6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methyl acetate;bis(yttrium)

[6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methyl acetate;bis(yttrium) (PubChem CID 158674572) has the molecular formula C57H62BBrN10O9Y2-2 and a molecular weight of 1299.71 g/mol. Its IUPAC name is [6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methyl acetate;bis(yttrium).

Molecular Properties

Compound Name[6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methyl acetate;bis(yttrium)
PubChem CID158674572
Molecular FormulaC57H62BBrN10O9Y2-2
Molecular Weight1299.71 g/mol
Exact Mass1298.21
IUPAC Name[6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methyl acetate;bis(yttrium)
SMILESC.CC(=O)OCc1[c-]cccc1B1OC(C)(C)C(C)(C)O1.O=C(c1ccc(Nc2cc(-c3ccc[c-]c3CO)cn3ccnc23)nc1)N1CCOCC1.O=C(c1ccc(Nc2cc(Br)cn3ccnc23)nc1)N1CCOCC1.[Y].[Y]
InChIInChI=1S/C24H22N5O3.C17H16BrN5O2.C15H20BO4.CH4.2Y/c30-16-18-3-1-2-4-20(18)19-13-21(23-25-7-8-29(23)15-19)27-22-6-5-17(14-26-22)24(31)28-9-11-32-12-10-28;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;1-11(17)18-10-12-8-6-7-9-13(12)16-19-14(2,3)15(4,5)20-16;;;/h1-2,4-8,13-15,30H,9-12,16H2,(H,26,27);1-4,9-11H,5-8H2,(H,20,21);6-7,9H,10H2,1-5H3;1H4;;/q-1;;-1;;;
InChIKeyLKGIGQDUKQRYPC-UHFFFAOYSA-N
XLogP8.09
TPSA208.51 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001299.71
LogP ≤ 58.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze [6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methyl acetate;bis(yttrium) with MolForge

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Related Compounds

[6-[(6-Bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methoxy]silane;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-b]pyridazin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;bis(yttrium)
CID 158896100
[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
[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
6-bromo-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide;carbon monoxide;2-[[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]carbamoyl]imidazo[1,2-a]pyridine-6-carboxylic acid;methyl 2-[[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]carbamoyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 163554429
6-(difluoromethyl)-N-[7-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;methyl 2-amino-5-bromopyridine-4-carboxylate;methyl 6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carboxylate;methyl 6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carboxylate
CID 165094628

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-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methyl acetate;bis(yttrium)?
The IUPAC name of [6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methyl acetate;bis(yttrium) (CID 158674572) is [6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methyl acetate;bis(yttrium).
What is the SMILES notation for [6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methyl acetate;bis(yttrium)?
The canonical SMILES for [6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methyl acetate;bis(yttrium) is C.CC(=O)OCc1[c-]cccc1B1OC(C)(C)C(C)(C)O1.O=C(c1ccc(Nc2cc(-c3ccc[c-]c3CO)cn3ccnc23)nc1)N1CCOCC1.O=C(c1ccc(Nc2cc(Br)cn3ccnc23)nc1)N1CCOCC1.[Y].[Y].
What is the InChIKey of [6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methyl acetate;bis(yttrium)?
The InChIKey is LKGIGQDUKQRYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N5O3.C17H16BrN5O2.C15H20BO4.CH4.2Y/c30-16-18-3-1-2-4-20(18)19-13-21(23-25-7-8-29(23)15-19)27-22-6-5-17(14-26-22)24(31)28-9-11-32-12-10-28;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;1-11(17)18-10-12-8-6-7-9-13(12)16-19-14(2,3)15(4,5)20-16;;;/h1-2,4-8,13-15,30H,9-12,16H2,(H,26,27);1-4,9-11H,5-8H2,(H,20,21);6-7,9H,10H2,1-5H3;1H4;;/q-1;;-1;;;.
What are the key properties of [6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methyl acetate;bis(yttrium)?
[6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methyl acetate;bis(yttrium) has a molecular weight of 1299.71 g/mol, XLogP of 8.09, 11 rotatable bonds, 3 hydrogen bond donors, and 17 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-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methyl acetate;bis(yttrium) is sourced from PubChem (CID 158674572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).