5-methoxy-1-(2-methylsulfonylpyrimidin-4-yl)indazole

C13H12N4O3S — CID 121280166

IUPAC5-methoxy-1-(2-methylsulfonylpyrimidin-4-yl)indazole
SMILESCOc1ccc2c(cnn2-c2ccnc(S(C)(=O)=O)n2)c1
InChIInChI=1S/C13H12N4O3S/c1-20-10-3-4-11-9(7-10)8-15-17(11)12-5-6-14-13(16-12)21(2,18)19/h3-8H,1-2H3
InChIKeyPTRWUQJPKSFSOS-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.23
Rot. Bonds3

About 5-methoxy-1-(2-methylsulfonylpyrimidin-4-yl)indazole

5-methoxy-1-(2-methylsulfonylpyrimidin-4-yl)indazole (PubChem CID 121280166) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 5-methoxy-1-(2-methylsulfonylpyrimidin-4-yl)indazole.

Molecular Properties

Compound Name5-methoxy-1-(2-methylsulfonylpyrimidin-4-yl)indazole
PubChem CID121280166
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Name5-methoxy-1-(2-methylsulfonylpyrimidin-4-yl)indazole
SMILESCOc1ccc2c(cnn2-c2ccnc(S(C)(=O)=O)n2)c1
InChIInChI=1S/C13H12N4O3S/c1-20-10-3-4-11-9(7-10)8-15-17(11)12-5-6-14-13(16-12)21(2,18)19/h3-8H,1-2H3
InChIKeyPTRWUQJPKSFSOS-UHFFFAOYSA-N
XLogP1.23
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(2-methylsulfonylpyrimidin-4-yl)indazole?
The IUPAC name of 5-methoxy-1-(2-methylsulfonylpyrimidin-4-yl)indazole (CID 121280166) is 5-methoxy-1-(2-methylsulfonylpyrimidin-4-yl)indazole.
What is the SMILES notation for 5-methoxy-1-(2-methylsulfonylpyrimidin-4-yl)indazole?
The canonical SMILES for 5-methoxy-1-(2-methylsulfonylpyrimidin-4-yl)indazole is COc1ccc2c(cnn2-c2ccnc(S(C)(=O)=O)n2)c1.
What is the InChIKey of 5-methoxy-1-(2-methylsulfonylpyrimidin-4-yl)indazole?
The InChIKey is PTRWUQJPKSFSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-20-10-3-4-11-9(7-10)8-15-17(11)12-5-6-14-13(16-12)21(2,18)19/h3-8H,1-2H3.
What are the key properties of 5-methoxy-1-(2-methylsulfonylpyrimidin-4-yl)indazole?
5-methoxy-1-(2-methylsulfonylpyrimidin-4-yl)indazole has a molecular weight of 304.33 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(2-methylsulfonylpyrimidin-4-yl)indazole is sourced from PubChem (CID 121280166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).