6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine;3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine

C43H28BrCl2F2N7O4S2 — CID 158445106

IUPAC6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine;3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine
SMILESO=S(=O)(Cc1cc(-c2cnc3ccc(-c4ccncc4)cn23)cnc1Cl)c1ccc(F)cc1.O=S(=O)(Cc1cc(-c2cnc3ccc(Br)cn23)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C24H16ClFN4O2S.C19H12BrClFN3O2S/c25-24-19(15-33(31,32)21-4-2-20(26)3-5-21)11-18(12-29-24)22-13-28-23-6-1-17(14-30(22)23)16-7-9-27-10-8-16;20-14-1-6-18-23-9-17(25(18)10-14)12-7-13(19(21)24-8-12)11-28(26,27)16-4-2-15(22)3-5-16/h1-14H,15H2;1-10H,11H2
InChIKeyHDHIPEODWYEKAR-UHFFFAOYSA-N
MW959.68 g/mol
LogP10.15
Rot. Bonds9

About 6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine;3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine

6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine;3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine (PubChem CID 158445106) has the molecular formula C43H28BrCl2F2N7O4S2 and a molecular weight of 959.68 g/mol. Its IUPAC name is 6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine;3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine;3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine
PubChem CID158445106
Molecular FormulaC43H28BrCl2F2N7O4S2
Molecular Weight959.68 g/mol
Exact Mass957.02
IUPAC Name6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine;3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine
SMILESO=S(=O)(Cc1cc(-c2cnc3ccc(-c4ccncc4)cn23)cnc1Cl)c1ccc(F)cc1.O=S(=O)(Cc1cc(-c2cnc3ccc(Br)cn23)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C24H16ClFN4O2S.C19H12BrClFN3O2S/c25-24-19(15-33(31,32)21-4-2-20(26)3-5-21)11-18(12-29-24)22-13-28-23-6-1-17(14-30(22)23)16-7-9-27-10-8-16;20-14-1-6-18-23-9-17(25(18)10-14)12-7-13(19(21)24-8-12)11-28(26,27)16-4-2-15(22)3-5-16/h1-14H,15H2;1-10H,11H2
InChIKeyHDHIPEODWYEKAR-UHFFFAOYSA-N
XLogP10.15
TPSA141.55 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500959.68
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

2-(8-Bromo-2-ethylsulfonylindolizin-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;pyridine
CID 155390295
3-[6-Chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-3-ylimidazo[1,2-a]pyridine
CID 160086088
2-(6-Chloro-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(6-chloro-3-ethylsulfonyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 160306249
5-Bromo-3-ethylsulfonyl-2-[5-methyl-1-(2,2,3,3,3-pentafluoropropyl)imidazol-4-yl]pyridine;3-ethylsulfonyl-2-[5-methyl-1-(2,2,3,3,3-pentafluoropropyl)imidazol-4-yl]-5-pyridin-2-ylpyridine;2-methylpyridine
CID 161579346
2-(6-Chloro-3-ethylsulfonyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(6-ethenyl-3-ethylsulfonyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 161650167
6-Bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine
CID 158445107
3-[6-Chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine
CID 158445108
6-Bromo-3-fluoro-2-methylpyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine
CID 157095649
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
2-Bromo-4-fluoropyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine
CID 158982742
4-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-thiopyran 1,1-dioxide;8-cyclopentyl-N-[5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-pyridinyl]-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 161824902

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine;3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine;3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine (CID 158445106) is 6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine;3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine;3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine;3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine is O=S(=O)(Cc1cc(-c2cnc3ccc(-c4ccncc4)cn23)cnc1Cl)c1ccc(F)cc1.O=S(=O)(Cc1cc(-c2cnc3ccc(Br)cn23)cnc1Cl)c1ccc(F)cc1.
What is the InChIKey of 6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine;3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine?
The InChIKey is HDHIPEODWYEKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN4O2S.C19H12BrClFN3O2S/c25-24-19(15-33(31,32)21-4-2-20(26)3-5-21)11-18(12-29-24)22-13-28-23-6-1-17(14-30(22)23)16-7-9-27-10-8-16;20-14-1-6-18-23-9-17(25(18)10-14)12-7-13(19(21)24-8-12)11-28(26,27)16-4-2-15(22)3-5-16/h1-14H,15H2;1-10H,11H2.
What are the key properties of 6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine;3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine?
6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine;3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine has a molecular weight of 959.68 g/mol, XLogP of 10.15, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine;3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 158445106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).