4-[6-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-7-(4-methylsulfonylphenyl)quinoline

C29H19F2N3O2S — CID 164613657

IUPAC4-[6-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-7-(4-methylsulfonylphenyl)quinoline
SMILESCS(=O)(=O)c1ccc(-c2ccc3c(-c4cnc5ccc(-c6cc(F)ccc6F)cn45)ccnc3c2)cc1
InChIInChI=1S/C29H19F2N3O2S/c1-37(35,36)22-7-2-18(3-8-22)19-4-9-23-24(12-13-32-27(23)14-19)28-16-33-29-11-5-20(17-34(28)29)25-15-21(30)6-10-26(25)31/h2-17H,1H3
InChIKeyBZUSYKCPAOSNNF-UHFFFAOYSA-N
MW511.55 g/mol
LogP6.57
Rot. Bonds4

About 4-[6-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-7-(4-methylsulfonylphenyl)quinoline

4-[6-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-7-(4-methylsulfonylphenyl)quinoline (PubChem CID 164613657) has the molecular formula C29H19F2N3O2S and a molecular weight of 511.55 g/mol. Its IUPAC name is 4-[6-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-7-(4-methylsulfonylphenyl)quinoline.

Molecular Properties

Compound Name4-[6-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-7-(4-methylsulfonylphenyl)quinoline
PubChem CID164613657
Molecular FormulaC29H19F2N3O2S
Molecular Weight511.55 g/mol
Exact Mass511.12
IUPAC Name4-[6-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-7-(4-methylsulfonylphenyl)quinoline
SMILESCS(=O)(=O)c1ccc(-c2ccc3c(-c4cnc5ccc(-c6cc(F)ccc6F)cn45)ccnc3c2)cc1
InChIInChI=1S/C29H19F2N3O2S/c1-37(35,36)22-7-2-18(3-8-22)19-4-9-23-24(12-13-32-27(23)14-19)28-16-33-29-11-5-20(17-34(28)29)25-15-21(30)6-10-26(25)31/h2-17H,1H3
InChIKeyBZUSYKCPAOSNNF-UHFFFAOYSA-N
XLogP6.57
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.55
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}benzenesulfonamide
CID 44444869
3-[1-(4-Methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazol-2-yl]-quinoline
CID 10693269
2-Isopropyl-3-(3'-(methylsulfonyl)biphenyl-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 44137094
2-(2'-Fluorobiphenyl-4-yl)-6-(methylsulfonyl)-1H-imidazo[4,5-b]pyridine
CID 44465474
2-Ethyl-3-(3-(3-(methylsulfonyl)benzyl)phenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 46226434
5-(4-(Pyridin-2-yl)piperazin-1-yl)-3-tosyl-[1,2,3]triazolo[1,5-a]quinazoline
CID 18590303
6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperazin-1-yl]sulfonylindole-1-carboxamide
CID 44385287
2-Ethyl-7-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-3-pentan-2-ylimidazo[4,5-b]pyridine
CID 44459034
2-(Biphenyl-4-yl)-7-(methylsulfonyl)imidazo[1,2-a]pyridine
CID 52945548
4-[4-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 71453733
4-Imidazol-1-yl-7-(4-methylsulfonylphenyl)quinoline-3-carbonitrile
CID 71579418
1-Methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]pyrrolo[2,3-c]pyridine
CID 118735334

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-7-(4-methylsulfonylphenyl)quinoline?
The IUPAC name of 4-[6-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-7-(4-methylsulfonylphenyl)quinoline (CID 164613657) is 4-[6-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-7-(4-methylsulfonylphenyl)quinoline.
What is the SMILES notation for 4-[6-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-7-(4-methylsulfonylphenyl)quinoline?
The canonical SMILES for 4-[6-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-7-(4-methylsulfonylphenyl)quinoline is CS(=O)(=O)c1ccc(-c2ccc3c(-c4cnc5ccc(-c6cc(F)ccc6F)cn45)ccnc3c2)cc1.
What is the InChIKey of 4-[6-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-7-(4-methylsulfonylphenyl)quinoline?
The InChIKey is BZUSYKCPAOSNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19F2N3O2S/c1-37(35,36)22-7-2-18(3-8-22)19-4-9-23-24(12-13-32-27(23)14-19)28-16-33-29-11-5-20(17-34(28)29)25-15-21(30)6-10-26(25)31/h2-17H,1H3.
What are the key properties of 4-[6-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-7-(4-methylsulfonylphenyl)quinoline?
4-[6-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-7-(4-methylsulfonylphenyl)quinoline has a molecular weight of 511.55 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-7-(4-methylsulfonylphenyl)quinoline is sourced from PubChem (CID 164613657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).