6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1,2,4,5-tetrahydropyrazolo[3,4-c]pyridine

C19H18FN3O2S — CID 141036855

IUPAC6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1,2,4,5-tetrahydropyrazolo[3,4-c]pyridine
SMILESCS(=O)(=O)c1ccccc1-c1ccc(N2C=C3NNC=C3CC2)c(F)c1
InChIInChI=1S/C19H18FN3O2S/c1-26(24,25)19-5-3-2-4-15(19)13-6-7-18(16(20)10-13)23-9-8-14-11-21-22-17(14)12-23/h2-7,10-12,21-22H,8-9H2,1H3
InChIKeyXHMMDYBMVMNPPX-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.94
Rot. Bonds3

About 6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1,2,4,5-tetrahydropyrazolo[3,4-c]pyridine

6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1,2,4,5-tetrahydropyrazolo[3,4-c]pyridine (PubChem CID 141036855) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1,2,4,5-tetrahydropyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1,2,4,5-tetrahydropyrazolo[3,4-c]pyridine
PubChem CID141036855
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1,2,4,5-tetrahydropyrazolo[3,4-c]pyridine
SMILESCS(=O)(=O)c1ccccc1-c1ccc(N2C=C3NNC=C3CC2)c(F)c1
InChIInChI=1S/C19H18FN3O2S/c1-26(24,25)19-5-3-2-4-15(19)13-6-7-18(16(20)10-13)23-9-8-14-11-21-22-17(14)12-23/h2-7,10-12,21-22H,8-9H2,1H3
InChIKeyXHMMDYBMVMNPPX-UHFFFAOYSA-N
XLogP2.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1,2,4,5-tetrahydropyrazolo[3,4-c]pyridine?
The IUPAC name of 6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1,2,4,5-tetrahydropyrazolo[3,4-c]pyridine (CID 141036855) is 6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1,2,4,5-tetrahydropyrazolo[3,4-c]pyridine.
What is the SMILES notation for 6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1,2,4,5-tetrahydropyrazolo[3,4-c]pyridine?
The canonical SMILES for 6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1,2,4,5-tetrahydropyrazolo[3,4-c]pyridine is CS(=O)(=O)c1ccccc1-c1ccc(N2C=C3NNC=C3CC2)c(F)c1.
What is the InChIKey of 6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1,2,4,5-tetrahydropyrazolo[3,4-c]pyridine?
The InChIKey is XHMMDYBMVMNPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-26(24,25)19-5-3-2-4-15(19)13-6-7-18(16(20)10-13)23-9-8-14-11-21-22-17(14)12-23/h2-7,10-12,21-22H,8-9H2,1H3.
What are the key properties of 6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1,2,4,5-tetrahydropyrazolo[3,4-c]pyridine?
6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1,2,4,5-tetrahydropyrazolo[3,4-c]pyridine has a molecular weight of 371.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1,2,4,5-tetrahydropyrazolo[3,4-c]pyridine is sourced from PubChem (CID 141036855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).