2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide

C20H18N6O4S — CID 71450444

IUPAC2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3ccc(S(N)(=O)=O)cc3)c3cn(C)nc3c2)cn1
InChIInChI=1S/C20H18N6O4S/c1-12-9-23-19(10-22-12)24-20(27)13-7-17-16(11-26(2)25-17)18(8-13)30-14-3-5-15(6-4-14)31(21,28)29/h3-11H,1-2H3,(H2,21,28,29)(H,23,24,27)
InChIKeyZIVHEUUCEVSPRF-UHFFFAOYSA-N
MW438.47 g/mol
LogP2.36
Rot. Bonds5

About 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide

2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide (PubChem CID 71450444) has the molecular formula C20H18N6O4S and a molecular weight of 438.47 g/mol. Its IUPAC name is 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide
PubChem CID71450444
Molecular FormulaC20H18N6O4S
Molecular Weight438.47 g/mol
Exact Mass438.11
IUPAC Name2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3ccc(S(N)(=O)=O)cc3)c3cn(C)nc3c2)cn1
InChIInChI=1S/C20H18N6O4S/c1-12-9-23-19(10-22-12)24-20(27)13-7-17-16(11-26(2)25-17)18(8-13)30-14-3-5-15(6-4-14)31(21,28)29/h3-11H,1-2H3,(H2,21,28,29)(H,23,24,27)
InChIKeyZIVHEUUCEVSPRF-UHFFFAOYSA-N
XLogP2.36
TPSA142.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 52.36
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-sulfamoylphenoxy)indazole-6-carboxamide?
The IUPAC name of 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide (CID 71450444) is 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide is Cc1cnc(NC(=O)c2cc(Oc3ccc(S(N)(=O)=O)cc3)c3cn(C)nc3c2)cn1.
What is the InChIKey of 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide?
The InChIKey is ZIVHEUUCEVSPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O4S/c1-12-9-23-19(10-22-12)24-20(27)13-7-17-16(11-26(2)25-17)18(8-13)30-14-3-5-15(6-4-14)31(21,28)29/h3-11H,1-2H3,(H2,21,28,29)(H,23,24,27).
What are the key properties of 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide?
2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide has a molecular weight of 438.47 g/mol, XLogP of 2.36, 5 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-sulfamoylphenoxy)indazole-6-carboxamide is sourced from PubChem (CID 71450444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).