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

C21H14F2N4O2S2 — CID 10139181

IUPAC6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4F)cn23)s1
InChIInChI=1S/C21H14F2N4O2S2/c1-31(28,29)20-7-5-18(30-20)17-10-24-19-6-2-12(11-27(17)19)15-9-25-26-21(15)14-4-3-13(22)8-16(14)23/h2-11H,1H3,(H,25,26)
InChIKeyQSRIWEGYSUFCDO-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.80
Rot. Bonds4

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

6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine (PubChem CID 10139181) has the molecular formula C21H14F2N4O2S2 and a molecular weight of 456.50 g/mol. Its IUPAC name is 6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine
PubChem CID10139181
Molecular FormulaC21H14F2N4O2S2
Molecular Weight456.50 g/mol
Exact Mass456.05
IUPAC Name6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4F)cn23)s1
InChIInChI=1S/C21H14F2N4O2S2/c1-31(28,29)20-7-5-18(30-20)17-10-24-19-6-2-12(11-27(17)19)15-9-25-26-21(15)14-4-3-13(22)8-16(14)23/h2-11H,1H3,(H,25,26)
InChIKeyQSRIWEGYSUFCDO-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine (CID 10139181) is 6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine is CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4F)cn23)s1.
What is the InChIKey of 6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine?
The InChIKey is QSRIWEGYSUFCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O2S2/c1-31(28,29)20-7-5-18(30-20)17-10-24-19-6-2-12(11-27(17)19)15-9-25-26-21(15)14-4-3-13(22)8-16(14)23/h2-11H,1H3,(H,25,26).
What are the key properties of 6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine?
6-[5-(2,4-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-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 10139181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).