4-(3-methyl-4-methylsulfonylphenyl)-1-(oxan-2-yl)pyrazolo[4,5-c]pyridine

C19H21N3O3S — CID 167528176

IUPAC4-(3-methyl-4-methylsulfonylphenyl)-1-(oxan-2-yl)pyrazolo[4,5-c]pyridine
SMILESCc1cc(-c2nccc3c2cnn3C2CCCCO2)ccc1S(C)(=O)=O
InChIInChI=1S/C19H21N3O3S/c1-13-11-14(6-7-17(13)26(2,23)24)19-15-12-21-22(16(15)8-9-20-19)18-5-3-4-10-25-18/h6-9,11-12,18H,3-5,10H2,1-2H3
InChIKeyAIYTVYFGUGTVNF-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.51
Rot. Bonds3

About 4-(3-methyl-4-methylsulfonylphenyl)-1-(oxan-2-yl)pyrazolo[4,5-c]pyridine

4-(3-methyl-4-methylsulfonylphenyl)-1-(oxan-2-yl)pyrazolo[4,5-c]pyridine (PubChem CID 167528176) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-(3-methyl-4-methylsulfonylphenyl)-1-(oxan-2-yl)pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(3-methyl-4-methylsulfonylphenyl)-1-(oxan-2-yl)pyrazolo[4,5-c]pyridine
PubChem CID167528176
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name4-(3-methyl-4-methylsulfonylphenyl)-1-(oxan-2-yl)pyrazolo[4,5-c]pyridine
SMILESCc1cc(-c2nccc3c2cnn3C2CCCCO2)ccc1S(C)(=O)=O
InChIInChI=1S/C19H21N3O3S/c1-13-11-14(6-7-17(13)26(2,23)24)19-15-12-21-22(16(15)8-9-20-19)18-5-3-4-10-25-18/h6-9,11-12,18H,3-5,10H2,1-2H3
InChIKeyAIYTVYFGUGTVNF-UHFFFAOYSA-N
XLogP3.51
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4-methylsulfonylphenyl)-1-(oxan-2-yl)pyrazolo[4,5-c]pyridine?
The IUPAC name of 4-(3-methyl-4-methylsulfonylphenyl)-1-(oxan-2-yl)pyrazolo[4,5-c]pyridine (CID 167528176) is 4-(3-methyl-4-methylsulfonylphenyl)-1-(oxan-2-yl)pyrazolo[4,5-c]pyridine.
What is the SMILES notation for 4-(3-methyl-4-methylsulfonylphenyl)-1-(oxan-2-yl)pyrazolo[4,5-c]pyridine?
The canonical SMILES for 4-(3-methyl-4-methylsulfonylphenyl)-1-(oxan-2-yl)pyrazolo[4,5-c]pyridine is Cc1cc(-c2nccc3c2cnn3C2CCCCO2)ccc1S(C)(=O)=O.
What is the InChIKey of 4-(3-methyl-4-methylsulfonylphenyl)-1-(oxan-2-yl)pyrazolo[4,5-c]pyridine?
The InChIKey is AIYTVYFGUGTVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13-11-14(6-7-17(13)26(2,23)24)19-15-12-21-22(16(15)8-9-20-19)18-5-3-4-10-25-18/h6-9,11-12,18H,3-5,10H2,1-2H3.
What are the key properties of 4-(3-methyl-4-methylsulfonylphenyl)-1-(oxan-2-yl)pyrazolo[4,5-c]pyridine?
4-(3-methyl-4-methylsulfonylphenyl)-1-(oxan-2-yl)pyrazolo[4,5-c]pyridine has a molecular weight of 371.46 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4-methylsulfonylphenyl)-1-(oxan-2-yl)pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 167528176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).