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

C24H21FN4O2S2 — CID 91562714

IUPAC3-(5-butylsulfonylthiophen-2-yl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine
SMILESCCCCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)s1
InChIInChI=1S/C24H21FN4O2S2/c1-2-3-12-33(30,31)23-11-9-21(32-23)20-14-26-22-10-6-17(15-29(20)22)19-13-27-28-24(19)16-4-7-18(25)8-5-16/h4-11,13-15H,2-3,12H2,1H3,(H,27,28)
InChIKeyPJEHSSONYUUYHH-UHFFFAOYSA-N
MW480.59 g/mol
LogP5.83
Rot. Bonds7

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

3-(5-butylsulfonylthiophen-2-yl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine (PubChem CID 91562714) has the molecular formula C24H21FN4O2S2 and a molecular weight of 480.59 g/mol. Its IUPAC name is 3-(5-butylsulfonylthiophen-2-yl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(5-butylsulfonylthiophen-2-yl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine
PubChem CID91562714
Molecular FormulaC24H21FN4O2S2
Molecular Weight480.59 g/mol
Exact Mass480.11
IUPAC Name3-(5-butylsulfonylthiophen-2-yl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine
SMILESCCCCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)s1
InChIInChI=1S/C24H21FN4O2S2/c1-2-3-12-33(30,31)23-11-9-21(32-23)20-14-26-22-10-6-17(15-29(20)22)19-13-27-28-24(19)16-4-7-18(25)8-5-16/h4-11,13-15H,2-3,12H2,1H3,(H,27,28)
InChIKeyPJEHSSONYUUYHH-UHFFFAOYSA-N
XLogP5.83
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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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
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N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
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3-ethylsulfonyl-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-6-amine
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1-[2-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
CID 155517835
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfonylpyrrolo[2,3-b]pyridin-6-amine
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2-[1-Ethylsulfonyl-3-[4-[4-(5-methylthiophen-2-yl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-(5-butylsulfonylthiophen-2-yl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-(5-butylsulfonylthiophen-2-yl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine (CID 91562714) is 3-(5-butylsulfonylthiophen-2-yl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(5-butylsulfonylthiophen-2-yl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(5-butylsulfonylthiophen-2-yl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine is CCCCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)s1.
What is the InChIKey of 3-(5-butylsulfonylthiophen-2-yl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine?
The InChIKey is PJEHSSONYUUYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2S2/c1-2-3-12-33(30,31)23-11-9-21(32-23)20-14-26-22-10-6-17(15-29(20)22)19-13-27-28-24(19)16-4-7-18(25)8-5-16/h4-11,13-15H,2-3,12H2,1H3,(H,27,28).
What are the key properties of 3-(5-butylsulfonylthiophen-2-yl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine?
3-(5-butylsulfonylthiophen-2-yl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine has a molecular weight of 480.59 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-butylsulfonylthiophen-2-yl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 91562714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).