2-methyl-N-(5-methylpyrazin-2-yl)-4-[4-(methylsulfamoyl)phenoxy]indazole-6-carboxamide

C21H20N6O4S — CID 71457593

IUPAC2-methyl-N-(5-methylpyrazin-2-yl)-4-[4-(methylsulfamoyl)phenoxy]indazole-6-carboxamide
SMILESCNS(=O)(=O)c1ccc(Oc2cc(C(=O)Nc3cnc(C)cn3)cc3nn(C)cc23)cc1
InChIInChI=1S/C21H20N6O4S/c1-13-10-24-20(11-23-13)25-21(28)14-8-18-17(12-27(3)26-18)19(9-14)31-15-4-6-16(7-5-15)32(29,30)22-2/h4-12,22H,1-3H3,(H,24,25,28)
InChIKeyBKZRZYGNNBKORP-UHFFFAOYSA-N
MW452.50 g/mol
LogP2.62
Rot. Bonds6

About 2-methyl-N-(5-methylpyrazin-2-yl)-4-[4-(methylsulfamoyl)phenoxy]indazole-6-carboxamide

2-methyl-N-(5-methylpyrazin-2-yl)-4-[4-(methylsulfamoyl)phenoxy]indazole-6-carboxamide (PubChem CID 71457593) has the molecular formula C21H20N6O4S and a molecular weight of 452.50 g/mol. Its IUPAC name is 2-methyl-N-(5-methylpyrazin-2-yl)-4-[4-(methylsulfamoyl)phenoxy]indazole-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methylpyrazin-2-yl)-4-[4-(methylsulfamoyl)phenoxy]indazole-6-carboxamide
PubChem CID71457593
Molecular FormulaC21H20N6O4S
Molecular Weight452.50 g/mol
Exact Mass452.13
IUPAC Name2-methyl-N-(5-methylpyrazin-2-yl)-4-[4-(methylsulfamoyl)phenoxy]indazole-6-carboxamide
SMILESCNS(=O)(=O)c1ccc(Oc2cc(C(=O)Nc3cnc(C)cn3)cc3nn(C)cc23)cc1
InChIInChI=1S/C21H20N6O4S/c1-13-10-24-20(11-23-13)25-21(28)14-8-18-17(12-27(3)26-18)19(9-14)31-15-4-6-16(7-5-15)32(29,30)22-2/h4-12,22H,1-3H3,(H,24,25,28)
InChIKeyBKZRZYGNNBKORP-UHFFFAOYSA-N
XLogP2.62
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methylpyrazin-2-yl)-4-[4-(methylsulfamoyl)phenoxy]indazole-6-carboxamide?
The IUPAC name of 2-methyl-N-(5-methylpyrazin-2-yl)-4-[4-(methylsulfamoyl)phenoxy]indazole-6-carboxamide (CID 71457593) is 2-methyl-N-(5-methylpyrazin-2-yl)-4-[4-(methylsulfamoyl)phenoxy]indazole-6-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methylpyrazin-2-yl)-4-[4-(methylsulfamoyl)phenoxy]indazole-6-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methylpyrazin-2-yl)-4-[4-(methylsulfamoyl)phenoxy]indazole-6-carboxamide is CNS(=O)(=O)c1ccc(Oc2cc(C(=O)Nc3cnc(C)cn3)cc3nn(C)cc23)cc1.
What is the InChIKey of 2-methyl-N-(5-methylpyrazin-2-yl)-4-[4-(methylsulfamoyl)phenoxy]indazole-6-carboxamide?
The InChIKey is BKZRZYGNNBKORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O4S/c1-13-10-24-20(11-23-13)25-21(28)14-8-18-17(12-27(3)26-18)19(9-14)31-15-4-6-16(7-5-15)32(29,30)22-2/h4-12,22H,1-3H3,(H,24,25,28).
What are the key properties of 2-methyl-N-(5-methylpyrazin-2-yl)-4-[4-(methylsulfamoyl)phenoxy]indazole-6-carboxamide?
2-methyl-N-(5-methylpyrazin-2-yl)-4-[4-(methylsulfamoyl)phenoxy]indazole-6-carboxamide has a molecular weight of 452.50 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methylpyrazin-2-yl)-4-[4-(methylsulfamoyl)phenoxy]indazole-6-carboxamide is sourced from PubChem (CID 71457593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).