3-bromoimidazo[1,2-a]pyrimidine;N-(2-chloro-5-imidazo[1,2-a]pyrimidin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide

C40H34BBrCl2F2N10O6S2 — CID 158608660

IUPAC3-bromoimidazo[1,2-a]pyrimidine;N-(2-chloro-5-imidazo[1,2-a]pyrimidin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESBrc1cnc2ncccn12.CC1(C)OB(c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)OC1(C)C.O=S(=O)(Nc1cc(-c2cnc3ncccn23)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H19BClFN2O4S.C17H11ClFN5O2S.C6H4BrN3/c1-16(2)17(3,4)26-18(25-16)11-9-14(15(19)21-10-11)22-27(23,24)13-7-5-12(20)6-8-13;18-16-14(23-27(25,26)13-4-2-12(19)3-5-13)8-11(9-21-16)15-10-22-17-20-6-1-7-24(15)17;7-5-4-9-6-8-2-1-3-10(5)6/h5-10,22H,1-4H3;1-10,23H;1-4H
InChIKeyHWOBHEDXVBUEKJ-UHFFFAOYSA-N
MW1014.53 g/mol
LogP7.85
Rot. Bonds8

About 3-bromoimidazo[1,2-a]pyrimidine;N-(2-chloro-5-imidazo[1,2-a]pyrimidin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide

3-bromoimidazo[1,2-a]pyrimidine;N-(2-chloro-5-imidazo[1,2-a]pyrimidin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 158608660) has the molecular formula C40H34BBrCl2F2N10O6S2 and a molecular weight of 1014.53 g/mol. Its IUPAC name is 3-bromoimidazo[1,2-a]pyrimidine;N-(2-chloro-5-imidazo[1,2-a]pyrimidin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-bromoimidazo[1,2-a]pyrimidine;N-(2-chloro-5-imidazo[1,2-a]pyrimidin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID158608660
Molecular FormulaC40H34BBrCl2F2N10O6S2
Molecular Weight1014.53 g/mol
Exact Mass1012.07
IUPAC Name3-bromoimidazo[1,2-a]pyrimidine;N-(2-chloro-5-imidazo[1,2-a]pyrimidin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESBrc1cnc2ncccn12.CC1(C)OB(c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)OC1(C)C.O=S(=O)(Nc1cc(-c2cnc3ncccn23)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H19BClFN2O4S.C17H11ClFN5O2S.C6H4BrN3/c1-16(2)17(3,4)26-18(25-16)11-9-14(15(19)21-10-11)22-27(23,24)13-7-5-12(20)6-8-13;18-16-14(23-27(25,26)13-4-2-12(19)3-5-13)8-11(9-21-16)15-10-22-17-20-6-1-7-24(15)17;7-5-4-9-6-8-2-1-3-10(5)6/h5-10,22H,1-4H3;1-10,23H;1-4H
InChIKeyHWOBHEDXVBUEKJ-UHFFFAOYSA-N
XLogP7.85
TPSA196.96 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001014.53
LogP ≤ 57.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-bromoimidazo[1,2-a]pyrimidine;N-(2-chloro-5-imidazo[1,2-a]pyrimidin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide with MolForge

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Related Compounds

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
6-bromo-3-iodo-2-methylimidazo[1,2-a]pyridine;6-bromo-2-methylimidazo[1,2-a]pyridine;N-[5-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 158363610
3-[bis[(4-fluorophenyl)sulfonyl]methyl]-2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromoimidazo[1,2-a]pyridine;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluoro-N-(4-fluorophenyl)sulfonylbenzenesulfonamide
CID 158552994
5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-4-fluoro-N-(4-fluorophenyl)sulfonylbenzenesulfonamide;3-bromoimidazo[1,2-a]pyridine;N-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide;N-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluoro-N-(4-fluorophenyl)sulfonylbenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluoro-N-(4-fluorophenyl)sulfonylbenzenesulfonamide
CID 159339497
5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N,N-dimethylpyrimidin-2-amine;N-[5-[3-[2-(dimethylamino)pyrimidin-5-yl]imidazo[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 160286075
6-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;6-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-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 160674883
6-bromo-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyridine;N-[5-[3-(2-methoxypyrimidin-5-yl)imidazo[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 160991030

Frequently Asked Questions

What is the IUPAC name of 3-bromoimidazo[1,2-a]pyrimidine;N-(2-chloro-5-imidazo[1,2-a]pyrimidin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 3-bromoimidazo[1,2-a]pyrimidine;N-(2-chloro-5-imidazo[1,2-a]pyrimidin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 158608660) is 3-bromoimidazo[1,2-a]pyrimidine;N-(2-chloro-5-imidazo[1,2-a]pyrimidin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-bromoimidazo[1,2-a]pyrimidine;N-(2-chloro-5-imidazo[1,2-a]pyrimidin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-bromoimidazo[1,2-a]pyrimidine;N-(2-chloro-5-imidazo[1,2-a]pyrimidin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide is Brc1cnc2ncccn12.CC1(C)OB(c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)OC1(C)C.O=S(=O)(Nc1cc(-c2cnc3ncccn23)cnc1Cl)c1ccc(F)cc1.
What is the InChIKey of 3-bromoimidazo[1,2-a]pyrimidine;N-(2-chloro-5-imidazo[1,2-a]pyrimidin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is HWOBHEDXVBUEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BClFN2O4S.C17H11ClFN5O2S.C6H4BrN3/c1-16(2)17(3,4)26-18(25-16)11-9-14(15(19)21-10-11)22-27(23,24)13-7-5-12(20)6-8-13;18-16-14(23-27(25,26)13-4-2-12(19)3-5-13)8-11(9-21-16)15-10-22-17-20-6-1-7-24(15)17;7-5-4-9-6-8-2-1-3-10(5)6/h5-10,22H,1-4H3;1-10,23H;1-4H.
What are the key properties of 3-bromoimidazo[1,2-a]pyrimidine;N-(2-chloro-5-imidazo[1,2-a]pyrimidin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
3-bromoimidazo[1,2-a]pyrimidine;N-(2-chloro-5-imidazo[1,2-a]pyrimidin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 1014.53 g/mol, XLogP of 7.85, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoimidazo[1,2-a]pyrimidine;N-(2-chloro-5-imidazo[1,2-a]pyrimidin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 158608660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).