2-chloroacetaldehyde;methyl 6-amino-3,5-dibromopyridine-2-carboxylate;bis(methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate);bis(methyl 6,8-dibromoimidazo[1,2-a]pyridine-5-carboxylate);5-morpholin-4-ylpyridin-2-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole

C86H88BBr8ClN20O16 — CID 158389952

IUPAC2-chloroacetaldehyde;methyl 6-amino-3,5-dibromopyridine-2-carboxylate;bis(methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate);bis(methyl 6,8-dibromoimidazo[1,2-a]pyridine-5-carboxylate);5-morpholin-4-ylpyridin-2-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole
SMILESCC1(C)OB(c2ccc3c(c2)CN=C3)OC1(C)C.COC(=O)c1c(Br)cc(Br)c2nccn12.COC(=O)c1c(Br)cc(Br)c2nccn12.COC(=O)c1c(Br)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12.COC(=O)c1c(Br)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12.COC(=O)c1nc(N)c(Br)cc1Br.Nc1ccc(N2CCOCC2)cn1.O=CCCl
InChIInChI=1S/2C18H18BrN5O3.C14H18BNO2.2C9H6Br2N2O2.C9H13N3O.C7H6Br2N2O2.C2H3ClO/c2*1-26-18(25)16-13(19)10-14(17-20-4-5-24(16)17)22-15-3-2-12(11-21-15)23-6-8-27-9-7-23;1-13(2)14(3,4)18-15(17-13)12-6-5-10-8-16-9-11(10)7-12;2*1-15-9(14)7-5(10)4-6(11)8-12-2-3-13(7)8;10-9-2-1-8(7-11-9)12-3-5-13-6-4-12;1-13-7(12)5-3(8)2-4(9)6(10)11-5;3-1-2-4/h2*2-5,10-11H,6-9H2,1H3,(H,21,22);5-8H,9H2,1-4H3;2*2-4H,1H3;1-2,7H,3-6H2,(H2,10,11);2H,1H3,(H2,10,11);2H,1H2
InChIKeyGWVHQGORFNMXEW-UHFFFAOYSA-N
MW2343.27 g/mol
LogP15.83
Rot. Bonds14

About 2-chloroacetaldehyde;methyl 6-amino-3,5-dibromopyridine-2-carboxylate;bis(methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate);bis(methyl 6,8-dibromoimidazo[1,2-a]pyridine-5-carboxylate);5-morpholin-4-ylpyridin-2-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole

2-chloroacetaldehyde;methyl 6-amino-3,5-dibromopyridine-2-carboxylate;bis(methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate);bis(methyl 6,8-dibromoimidazo[1,2-a]pyridine-5-carboxylate);5-morpholin-4-ylpyridin-2-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole (PubChem CID 158389952) has the molecular formula C86H88BBr8ClN20O16 and a molecular weight of 2343.27 g/mol. Its IUPAC name is 2-chloroacetaldehyde;methyl 6-amino-3,5-dibromopyridine-2-carboxylate;bis(methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate);bis(methyl 6,8-dibromoimidazo[1,2-a]pyridine-5-carboxylate);5-morpholin-4-ylpyridin-2-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole.

Molecular Properties

Compound Name2-chloroacetaldehyde;methyl 6-amino-3,5-dibromopyridine-2-carboxylate;bis(methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate);bis(methyl 6,8-dibromoimidazo[1,2-a]pyridine-5-carboxylate);5-morpholin-4-ylpyridin-2-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole
PubChem CID158389952
Molecular FormulaC86H88BBr8ClN20O16
Molecular Weight2343.27 g/mol
Exact Mass2333.99
IUPAC Name2-chloroacetaldehyde;methyl 6-amino-3,5-dibromopyridine-2-carboxylate;bis(methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate);bis(methyl 6,8-dibromoimidazo[1,2-a]pyridine-5-carboxylate);5-morpholin-4-ylpyridin-2-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole
SMILESCC1(C)OB(c2ccc3c(c2)CN=C3)OC1(C)C.COC(=O)c1c(Br)cc(Br)c2nccn12.COC(=O)c1c(Br)cc(Br)c2nccn12.COC(=O)c1c(Br)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12.COC(=O)c1c(Br)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12.COC(=O)c1nc(N)c(Br)cc1Br.Nc1ccc(N2CCOCC2)cn1.O=CCCl
InChIInChI=1S/2C18H18BrN5O3.C14H18BNO2.2C9H6Br2N2O2.C9H13N3O.C7H6Br2N2O2.C2H3ClO/c2*1-26-18(25)16-13(19)10-14(17-20-4-5-24(16)17)22-15-3-2-12(11-21-15)23-6-8-27-9-7-23;1-13(2)14(3,4)18-15(17-13)12-6-5-10-8-16-9-11(10)7-12;2*1-15-9(14)7-5(10)4-6(11)8-12-2-3-13(7)8;10-9-2-1-8(7-11-9)12-3-5-13-6-4-12;1-13-7(12)5-3(8)2-4(9)6(10)11-5;3-1-2-4/h2*2-5,10-11H,6-9H2,1H3,(H,21,22);5-8H,9H2,1-4H3;2*2-4H,1H3;1-2,7H,3-6H2,(H2,10,11);2H,1H3,(H2,10,11);2H,1H2
InChIKeyGWVHQGORFNMXEW-UHFFFAOYSA-N
XLogP15.83
TPSA413.66 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds14
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002343.27
LogP ≤ 515.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-chloroacetaldehyde;methyl 6-amino-3,5-dibromopyridine-2-carboxylate;bis(methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate);bis(methyl 6,8-dibromoimidazo[1,2-a]pyridine-5-carboxylate);5-morpholin-4-ylpyridin-2-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole with MolForge

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Related Compounds

6-Aminopyridine-2-carboxylic acid;2-chloroacetaldehyde;methyl 6-amino-5-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate;tris(methyl 8-ethenylimidazo[1,2-a]pyridine-5-carboxylate);1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane
CID 160291939
6-Aminopyridine-2-carboxylic acid;2-chloroacetaldehyde;methyl 6-amino-5-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate;bis(methyl 8-ethenylimidazo[1,2-a]pyridine-5-carboxylate);methyl 8-formylimidazo[1,2-a]pyridine-5-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane
CID 160469246
6-aminopyridine-2-carboxylic acid;2-chloroacetaldehyde;methyl 6-amino-5-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate;bis(methyl 8-ethenylimidazo[1,2-a]pyridine-5-carboxylate);methyl 8-formylimidazo[1,2-a]pyridine-5-carboxylate;methyl 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane
CID 160953863
6-aminopyridine-2-carboxamide;2-chloroacetaldehyde;methyl 6-amino-5-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate;bis(methyl 8-ethenylimidazo[1,2-a]pyridine-5-carboxylate);methyl 8-formylimidazo[1,2-a]pyridine-5-carboxylate;methyl 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane
CID 161242735
2-chloroacetaldehyde;methyl 6-amino-3,5-dibromopyridine-2-carboxylate;bis(methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate);bis(methyl 6,8-dibromoimidazo[1,2-a]pyridine-5-carboxylate);methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate;5-morpholin-4-ylpyridin-2-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole
CID 160284127

Frequently Asked Questions

What is the IUPAC name of 2-chloroacetaldehyde;methyl 6-amino-3,5-dibromopyridine-2-carboxylate;bis(methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate);bis(methyl 6,8-dibromoimidazo[1,2-a]pyridine-5-carboxylate);5-morpholin-4-ylpyridin-2-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?
The IUPAC name of 2-chloroacetaldehyde;methyl 6-amino-3,5-dibromopyridine-2-carboxylate;bis(methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate);bis(methyl 6,8-dibromoimidazo[1,2-a]pyridine-5-carboxylate);5-morpholin-4-ylpyridin-2-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole (CID 158389952) is 2-chloroacetaldehyde;methyl 6-amino-3,5-dibromopyridine-2-carboxylate;bis(methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate);bis(methyl 6,8-dibromoimidazo[1,2-a]pyridine-5-carboxylate);5-morpholin-4-ylpyridin-2-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole.
What is the SMILES notation for 2-chloroacetaldehyde;methyl 6-amino-3,5-dibromopyridine-2-carboxylate;bis(methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate);bis(methyl 6,8-dibromoimidazo[1,2-a]pyridine-5-carboxylate);5-morpholin-4-ylpyridin-2-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?
The canonical SMILES for 2-chloroacetaldehyde;methyl 6-amino-3,5-dibromopyridine-2-carboxylate;bis(methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate);bis(methyl 6,8-dibromoimidazo[1,2-a]pyridine-5-carboxylate);5-morpholin-4-ylpyridin-2-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole is CC1(C)OB(c2ccc3c(c2)CN=C3)OC1(C)C.COC(=O)c1c(Br)cc(Br)c2nccn12.COC(=O)c1c(Br)cc(Br)c2nccn12.COC(=O)c1c(Br)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12.COC(=O)c1c(Br)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12.COC(=O)c1nc(N)c(Br)cc1Br.Nc1ccc(N2CCOCC2)cn1.O=CCCl.
What is the InChIKey of 2-chloroacetaldehyde;methyl 6-amino-3,5-dibromopyridine-2-carboxylate;bis(methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate);bis(methyl 6,8-dibromoimidazo[1,2-a]pyridine-5-carboxylate);5-morpholin-4-ylpyridin-2-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?
The InChIKey is GWVHQGORFNMXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H18BrN5O3.C14H18BNO2.2C9H6Br2N2O2.C9H13N3O.C7H6Br2N2O2.C2H3ClO/c2*1-26-18(25)16-13(19)10-14(17-20-4-5-24(16)17)22-15-3-2-12(11-21-15)23-6-8-27-9-7-23;1-13(2)14(3,4)18-15(17-13)12-6-5-10-8-16-9-11(10)7-12;2*1-15-9(14)7-5(10)4-6(11)8-12-2-3-13(7)8;10-9-2-1-8(7-11-9)12-3-5-13-6-4-12;1-13-7(12)5-3(8)2-4(9)6(10)11-5;3-1-2-4/h2*2-5,10-11H,6-9H2,1H3,(H,21,22);5-8H,9H2,1-4H3;2*2-4H,1H3;1-2,7H,3-6H2,(H2,10,11);2H,1H3,(H2,10,11);2H,1H2.
What are the key properties of 2-chloroacetaldehyde;methyl 6-amino-3,5-dibromopyridine-2-carboxylate;bis(methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate);bis(methyl 6,8-dibromoimidazo[1,2-a]pyridine-5-carboxylate);5-morpholin-4-ylpyridin-2-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?
2-chloroacetaldehyde;methyl 6-amino-3,5-dibromopyridine-2-carboxylate;bis(methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate);bis(methyl 6,8-dibromoimidazo[1,2-a]pyridine-5-carboxylate);5-morpholin-4-ylpyridin-2-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole has a molecular weight of 2343.27 g/mol, XLogP of 15.83, 14 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroacetaldehyde;methyl 6-amino-3,5-dibromopyridine-2-carboxylate;bis(methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate);bis(methyl 6,8-dibromoimidazo[1,2-a]pyridine-5-carboxylate);5-morpholin-4-ylpyridin-2-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole is sourced from PubChem (CID 158389952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).