6-bromo-3-pyrimidin-2-ylimidazo[1,2-a]pyridine;N-[5-(3-pyrimidin-2-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide

C50H44BBrN12O6S2 — CID 157117027

IUPAC6-bromo-3-pyrimidin-2-ylimidazo[1,2-a]pyridine;N-[5-(3-pyrimidin-2-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide
SMILESBrc1ccc2ncc(-c3ncccn3)n2c1.CC1(C)OB(c2cncc(NS(=O)(=O)c3ccccc3)c2)OC1(C)C.O=S(=O)(Nc1cncc(-c2ccc3ncc(-c4ncccn4)n3c2)c1)c1ccccc1
InChIInChI=1S/C22H16N6O2S.C17H21BN2O4S.C11H7BrN4/c29-31(30,19-5-2-1-3-6-19)27-18-11-17(12-23-13-18)16-7-8-21-26-14-20(28(21)15-16)22-24-9-4-10-25-22;1-16(2)17(3,4)24-18(23-16)13-10-14(12-19-11-13)20-25(21,22)15-8-6-5-7-9-15;12-8-2-3-10-15-6-9(16(10)7-8)11-13-4-1-5-14-11/h1-15,27H;5-12,20H,1-4H3;1-7H
InChIKeyAHNIPEYCNJEUOY-UHFFFAOYSA-N
MW1063.83 g/mol
LogP8.39
Rot. Bonds10

About 6-bromo-3-pyrimidin-2-ylimidazo[1,2-a]pyridine;N-[5-(3-pyrimidin-2-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide

6-bromo-3-pyrimidin-2-ylimidazo[1,2-a]pyridine;N-[5-(3-pyrimidin-2-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 157117027) has the molecular formula C50H44BBrN12O6S2 and a molecular weight of 1063.83 g/mol. Its IUPAC name is 6-bromo-3-pyrimidin-2-ylimidazo[1,2-a]pyridine;N-[5-(3-pyrimidin-2-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name6-bromo-3-pyrimidin-2-ylimidazo[1,2-a]pyridine;N-[5-(3-pyrimidin-2-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID157117027
Molecular FormulaC50H44BBrN12O6S2
Molecular Weight1063.83 g/mol
Exact Mass1062.22
IUPAC Name6-bromo-3-pyrimidin-2-ylimidazo[1,2-a]pyridine;N-[5-(3-pyrimidin-2-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide
SMILESBrc1ccc2ncc(-c3ncccn3)n2c1.CC1(C)OB(c2cncc(NS(=O)(=O)c3ccccc3)c2)OC1(C)C.O=S(=O)(Nc1cncc(-c2ccc3ncc(-c4ncccn4)n3c2)c1)c1ccccc1
InChIInChI=1S/C22H16N6O2S.C17H21BN2O4S.C11H7BrN4/c29-31(30,19-5-2-1-3-6-19)27-18-11-17(12-23-13-18)16-7-8-21-26-14-20(28(21)15-16)22-24-9-4-10-25-22;1-16(2)17(3,4)24-18(23-16)13-10-14(12-19-11-13)20-25(21,22)15-8-6-5-7-9-15;12-8-2-3-10-15-6-9(16(10)7-8)11-13-4-1-5-14-11/h1-15,27H;5-12,20H,1-4H3;1-7H
InChIKeyAHNIPEYCNJEUOY-UHFFFAOYSA-N
XLogP8.39
TPSA222.74 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001063.83
LogP ≤ 58.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 6-bromo-3-pyrimidin-2-ylimidazo[1,2-a]pyridine;N-[5-(3-pyrimidin-2-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide with MolForge

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Related Compounds

6-bromo-5-methylimidazo[1,2-a]pyridin-2-amine;N-(6-bromo-5-methylimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;2-[3-bromo-2-methyl-6-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide;5-bromo-6-methylpyridin-2-amine;N-(5-bromo-6-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 158851662
1-[4-[6-[[4-[2-[1-(Benzenesulfonyl)indol-3-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
CID 155572980
CID 157309315
CID 157309315
6-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine;6-bromo-3-iodo-7-methylimidazo[1,2-a]pyridine;6-bromo-7-methylimidazo[1,2-a]pyridine;5-bromo-4-methylpyridin-2-amine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-methyl-6-pyridin-4-ylimidazo[1,2-a]pyridine;1-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N,N-dimethylmethanesulfonamide
CID 157328665
CID 157445749
CID 157445749
8-(3-Bromopyrrolo[2,3-b]pyridin-1-yl)sulfonylquinoline;8-[3-(2-methylsulfanylpyrimidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylquinoline;8-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylquinoline
CID 157464685
5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-1-(4-methylphenyl)sulfonyl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;5-bromo-1-methyl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;3-bromo-5-pyridin-3-yl-7H-cyclopenta[b]pyridine;1-methyl-3-pyridin-3-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
CID 157498951
2-Bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-isocyano-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]methanamine;hydrochloride
CID 157572502
4-Bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbonitrile;1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-2-carbonitrile
CID 157888667
5-Bromopyridin-3-amine;5-[3-(3-isocyanophenyl)imidazo[1,5-a]pyridin-6-yl]pyridin-3-amine;3-(3-isocyanophenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,5-a]pyridine
CID 158090794
9-[[4-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)phenyl]methyl]-2-methylpurin-6-amine;9-[(4-bromophenyl)methyl]-2-methylpurin-6-amine;3-methyl-1-azabicyclo[2.2.2]oct-2-ene;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
CID 158182755
11-Cyclohexyl-5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-amine
CID 158291013

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-pyrimidin-2-ylimidazo[1,2-a]pyridine;N-[5-(3-pyrimidin-2-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 6-bromo-3-pyrimidin-2-ylimidazo[1,2-a]pyridine;N-[5-(3-pyrimidin-2-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide (CID 157117027) is 6-bromo-3-pyrimidin-2-ylimidazo[1,2-a]pyridine;N-[5-(3-pyrimidin-2-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 6-bromo-3-pyrimidin-2-ylimidazo[1,2-a]pyridine;N-[5-(3-pyrimidin-2-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 6-bromo-3-pyrimidin-2-ylimidazo[1,2-a]pyridine;N-[5-(3-pyrimidin-2-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide is Brc1ccc2ncc(-c3ncccn3)n2c1.CC1(C)OB(c2cncc(NS(=O)(=O)c3ccccc3)c2)OC1(C)C.O=S(=O)(Nc1cncc(-c2ccc3ncc(-c4ncccn4)n3c2)c1)c1ccccc1.
What is the InChIKey of 6-bromo-3-pyrimidin-2-ylimidazo[1,2-a]pyridine;N-[5-(3-pyrimidin-2-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is AHNIPEYCNJEUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O2S.C17H21BN2O4S.C11H7BrN4/c29-31(30,19-5-2-1-3-6-19)27-18-11-17(12-23-13-18)16-7-8-21-26-14-20(28(21)15-16)22-24-9-4-10-25-22;1-16(2)17(3,4)24-18(23-16)13-10-14(12-19-11-13)20-25(21,22)15-8-6-5-7-9-15;12-8-2-3-10-15-6-9(16(10)7-8)11-13-4-1-5-14-11/h1-15,27H;5-12,20H,1-4H3;1-7H.
What are the key properties of 6-bromo-3-pyrimidin-2-ylimidazo[1,2-a]pyridine;N-[5-(3-pyrimidin-2-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide?
6-bromo-3-pyrimidin-2-ylimidazo[1,2-a]pyridine;N-[5-(3-pyrimidin-2-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 1063.83 g/mol, XLogP of 8.39, 10 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-pyrimidin-2-ylimidazo[1,2-a]pyridine;N-[5-(3-pyrimidin-2-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 157117027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).