6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine

C21H14F2N4O2S2 — CID 10139182

IUPAC6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4c(F)cccc4F)cn23)s1
InChIInChI=1S/C21H14F2N4O2S2/c1-31(28,29)19-8-6-17(30-19)16-10-24-18-7-5-12(11-27(16)18)13-9-25-26-21(13)20-14(22)3-2-4-15(20)23/h2-11H,1H3,(H,25,26)
InChIKeyUHEPGSGZIROTFY-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.80
Rot. Bonds4

About 6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine

6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine (PubChem CID 10139182) has the molecular formula C21H14F2N4O2S2 and a molecular weight of 456.50 g/mol. Its IUPAC name is 6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine
PubChem CID10139182
Molecular FormulaC21H14F2N4O2S2
Molecular Weight456.50 g/mol
Exact Mass456.05
IUPAC Name6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4c(F)cccc4F)cn23)s1
InChIInChI=1S/C21H14F2N4O2S2/c1-31(28,29)19-8-6-17(30-19)16-10-24-18-7-5-12(11-27(16)18)13-9-25-26-21(13)20-14(22)3-2-4-15(20)23/h2-11H,1H3,(H,25,26)
InChIKeyUHEPGSGZIROTFY-UHFFFAOYSA-N
XLogP4.80
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-1-[1-[2-(1-methyl-5-methylsulfonylindol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
CID 162643444
N-[6-(4-fluorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
CID 25094283
US11136337, Example 4.12
CID 139382103
5-Cyclopropyl-N2-(2,6-difluoro-4-(methylsulfonyl)phenyl)-N2-methyl-6-(1-methyl-1H-imidazol-4-yl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 169155658
N-(5-(3-(1H-Pyrazol-3-yl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-benzenesulfonamide
CID 52936957
N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-propan-2-ylsulfonylpyrrolo[2,3-b]pyridin-6-amine
CID 155511395
3-ethylsulfonyl-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-6-amine
CID 155516368
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfonylpyrrolo[2,3-b]pyridin-6-amine
CID 155528115
N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfonylpyrrolo[2,3-b]pyridin-6-amine
CID 155547977
3-[5-(3-Chlorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164612637
3-[5-(1-Methylpyrazol-4-yl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
CID 164614398
7-(1-Methylpyrazol-4-yl)-3-(5-pyridin-4-ylthiophen-2-yl)imidazo[1,2-a]pyridine
CID 164616134

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine (CID 10139182) is 6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine is CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4c(F)cccc4F)cn23)s1.
What is the InChIKey of 6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine?
The InChIKey is UHEPGSGZIROTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O2S2/c1-31(28,29)19-8-6-17(30-19)16-10-24-18-7-5-12(11-27(16)18)13-9-25-26-21(13)20-14(22)3-2-4-15(20)23/h2-11H,1H3,(H,25,26).
What are the key properties of 6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine?
6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine has a molecular weight of 456.50 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 10139182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).