3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine

C25H20F2N4O2S — CID 167707220

IUPAC3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine
SMILESCn1nccc1-c1ccc2c(-c3cc(CS(C)(=O)=O)cc(-c4ccc(F)cc4F)c3)cnn2c1
InChIInChI=1S/C25H20F2N4O2S/c1-30-24(7-8-28-30)17-3-6-25-22(13-29-31(25)14-17)19-10-16(15-34(2,32)33)9-18(11-19)21-5-4-20(26)12-23(21)27/h3-14H,15H2,1-2H3
InChIKeySMOZSHHGWMJVET-UHFFFAOYSA-N
MW478.52 g/mol
LogP4.89
Rot. Bonds5

About 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine

3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine (PubChem CID 167707220) has the molecular formula C25H20F2N4O2S and a molecular weight of 478.52 g/mol. Its IUPAC name is 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine
PubChem CID167707220
Molecular FormulaC25H20F2N4O2S
Molecular Weight478.52 g/mol
Exact Mass478.13
IUPAC Name3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine
SMILESCn1nccc1-c1ccc2c(-c3cc(CS(C)(=O)=O)cc(-c4ccc(F)cc4F)c3)cnn2c1
InChIInChI=1S/C25H20F2N4O2S/c1-30-24(7-8-28-30)17-3-6-25-22(13-29-31(25)14-17)19-10-16(15-34(2,32)33)9-18(11-19)21-5-4-20(26)12-23(21)27/h3-14H,15H2,1-2H3
InChIKeySMOZSHHGWMJVET-UHFFFAOYSA-N
XLogP4.89
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine (CID 167707220) is 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine is Cn1nccc1-c1ccc2c(-c3cc(CS(C)(=O)=O)cc(-c4ccc(F)cc4F)c3)cnn2c1.
What is the InChIKey of 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is SMOZSHHGWMJVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O2S/c1-30-24(7-8-28-30)17-3-6-25-22(13-29-31(25)14-17)19-10-16(15-34(2,32)33)9-18(11-19)21-5-4-20(26)12-23(21)27/h3-14H,15H2,1-2H3.
What are the key properties of 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine?
3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 478.52 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 167707220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).