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

C24H16ClFN4O2S — CID 158445108

IUPAC3-[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
InChIInChI=1S/C24H16ClFN4O2S/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/h1-14H,15H2
InChIKeyXCERLHVBGUOKAT-UHFFFAOYSA-N
MW478.94 g/mol
LogP5.22
Rot. Bonds5

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

3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine (PubChem CID 158445108) has the molecular formula C24H16ClFN4O2S and a molecular weight of 478.94 g/mol. Its IUPAC name is 3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine
PubChem CID158445108
Molecular FormulaC24H16ClFN4O2S
Molecular Weight478.94 g/mol
Exact Mass478.07
IUPAC Name3-[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
InChIInChI=1S/C24H16ClFN4O2S/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/h1-14H,15H2
InChIKeyXCERLHVBGUOKAT-UHFFFAOYSA-N
XLogP5.22
TPSA77.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.94
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[8-(2-chlorophenyl)-9-[6-(trifluoromethyl)pyridin-3-yl]purin-6-yl]piperidin-4-yl]-3,4-difluorobenzenesulfonamide
CID 135156454
Benzenesulfonamide, N-[2-chloro-5-[3-(4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-4-fluoro-
CID 145977475
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}benzenesulfonamide
CID 44444869
N-[2-chloro-5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide
CID 145966764
N-[1-[8-(2-chlorophenyl)-9-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]piperidin-4-yl]-2-fluorobenzenesulfonamide
CID 155531768
3-{2-[(4-Chlorobenzyl)thio]pyrimidin-4-yl}-2-methylimidazo[1,2-a]pyridine
CID 2745488
n-(5-(2-Aminoimidazo[1,2-a]pyridin-6-yl)-2-chloropyridin-3-yl)-4-fluorobenzenesulfonamide
CID 44125376
N-(5-(3-(Pyridin-3-yl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-benzenesulfonamide
CID 52936962
N-(5-(3-(Pyridin-4-yl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-benzenesulfonamide
CID 52937061
4-amino-6-[[(1S)-1-[6-fluoro-3-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 53482519
5-[5-(4-Chlorophenyl)sulfanyl-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-methylsulfonylpyridine
CID 56666263
4-amino-6-[[(1S)-1-[6-fluoro-3-(2-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 58459379

Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine?
The IUPAC name of 3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine (CID 158445108) is 3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 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.
What is the InChIKey of 3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine?
The InChIKey is XCERLHVBGUOKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN4O2S/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/h1-14H,15H2.
What are the key properties of 3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[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 478.94 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 158445108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).