6-(1H-indazol-4-yl)-1-methyl-4-(4-methylsulfonylphenoxy)pyrazolo[5,4-b]pyridine

C21H17N5O3S — CID 46220225

IUPAC6-(1H-indazol-4-yl)-1-methyl-4-(4-methylsulfonylphenoxy)pyrazolo[5,4-b]pyridine
SMILESCn1ncc2c(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3cccc4[nH]ncc34)nc21
InChIInChI=1S/C21H17N5O3S/c1-26-21-17(12-23-26)20(29-13-6-8-14(9-7-13)30(2,27)28)10-19(24-21)15-4-3-5-18-16(15)11-22-25-18/h3-12H,1-2H3,(H,22,25)
InChIKeyDSBJBOOMYLWTSO-UHFFFAOYSA-N
MW419.47 g/mol
LogP3.71
Rot. Bonds4

About 6-(1H-indazol-4-yl)-1-methyl-4-(4-methylsulfonylphenoxy)pyrazolo[5,4-b]pyridine

6-(1H-indazol-4-yl)-1-methyl-4-(4-methylsulfonylphenoxy)pyrazolo[5,4-b]pyridine (PubChem CID 46220225) has the molecular formula C21H17N5O3S and a molecular weight of 419.47 g/mol. Its IUPAC name is 6-(1H-indazol-4-yl)-1-methyl-4-(4-methylsulfonylphenoxy)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(1H-indazol-4-yl)-1-methyl-4-(4-methylsulfonylphenoxy)pyrazolo[5,4-b]pyridine
PubChem CID46220225
Molecular FormulaC21H17N5O3S
Molecular Weight419.47 g/mol
Exact Mass419.11
IUPAC Name6-(1H-indazol-4-yl)-1-methyl-4-(4-methylsulfonylphenoxy)pyrazolo[5,4-b]pyridine
SMILESCn1ncc2c(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3cccc4[nH]ncc34)nc21
InChIInChI=1S/C21H17N5O3S/c1-26-21-17(12-23-26)20(29-13-6-8-14(9-7-13)30(2,27)28)10-19(24-21)15-4-3-5-18-16(15)11-22-25-18/h3-12H,1-2H3,(H,22,25)
InChIKeyDSBJBOOMYLWTSO-UHFFFAOYSA-N
XLogP3.71
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-4-yl)-1-methyl-4-(4-methylsulfonylphenoxy)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(1H-indazol-4-yl)-1-methyl-4-(4-methylsulfonylphenoxy)pyrazolo[5,4-b]pyridine (CID 46220225) is 6-(1H-indazol-4-yl)-1-methyl-4-(4-methylsulfonylphenoxy)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(1H-indazol-4-yl)-1-methyl-4-(4-methylsulfonylphenoxy)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(1H-indazol-4-yl)-1-methyl-4-(4-methylsulfonylphenoxy)pyrazolo[5,4-b]pyridine is Cn1ncc2c(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3cccc4[nH]ncc34)nc21.
What is the InChIKey of 6-(1H-indazol-4-yl)-1-methyl-4-(4-methylsulfonylphenoxy)pyrazolo[5,4-b]pyridine?
The InChIKey is DSBJBOOMYLWTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3S/c1-26-21-17(12-23-26)20(29-13-6-8-14(9-7-13)30(2,27)28)10-19(24-21)15-4-3-5-18-16(15)11-22-25-18/h3-12H,1-2H3,(H,22,25).
What are the key properties of 6-(1H-indazol-4-yl)-1-methyl-4-(4-methylsulfonylphenoxy)pyrazolo[5,4-b]pyridine?
6-(1H-indazol-4-yl)-1-methyl-4-(4-methylsulfonylphenoxy)pyrazolo[5,4-b]pyridine has a molecular weight of 419.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-4-yl)-1-methyl-4-(4-methylsulfonylphenoxy)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 46220225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).