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

C21H20N6O4S — CID 58574099

IUPAC2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide
SMILESCCn1cc2c(Oc3ccc(S(N)(=O)=O)cc3)cc(C(=O)Nc3cnc(C)cn3)cc2n1
InChIInChI=1S/C21H20N6O4S/c1-3-27-12-17-18(26-27)8-14(21(28)25-20-11-23-13(2)10-24-20)9-19(17)31-15-4-6-16(7-5-15)32(22,29)30/h4-12H,3H2,1-2H3,(H2,22,29,30)(H,24,25,28)
InChIKeyKUXABOCDNUPWEL-UHFFFAOYSA-N
MW452.50 g/mol
LogP2.85
Rot. Bonds6

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

2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide (PubChem CID 58574099) has the molecular formula C21H20N6O4S and a molecular weight of 452.50 g/mol. Its IUPAC name is 2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide
PubChem CID58574099
Molecular FormulaC21H20N6O4S
Molecular Weight452.50 g/mol
Exact Mass452.13
IUPAC Name2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide
SMILESCCn1cc2c(Oc3ccc(S(N)(=O)=O)cc3)cc(C(=O)Nc3cnc(C)cn3)cc2n1
InChIInChI=1S/C21H20N6O4S/c1-3-27-12-17-18(26-27)8-14(21(28)25-20-11-23-13(2)10-24-20)9-19(17)31-15-4-6-16(7-5-15)32(22,29)30/h4-12H,3H2,1-2H3,(H2,22,29,30)(H,24,25,28)
InChIKeyKUXABOCDNUPWEL-UHFFFAOYSA-N
XLogP2.85
TPSA142.09 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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide?
The IUPAC name of 2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide (CID 58574099) is 2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide.
What is the SMILES notation for 2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide?
The canonical SMILES for 2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide is CCn1cc2c(Oc3ccc(S(N)(=O)=O)cc3)cc(C(=O)Nc3cnc(C)cn3)cc2n1.
What is the InChIKey of 2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide?
The InChIKey is KUXABOCDNUPWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O4S/c1-3-27-12-17-18(26-27)8-14(21(28)25-20-11-23-13(2)10-24-20)9-19(17)31-15-4-6-16(7-5-15)32(22,29)30/h4-12H,3H2,1-2H3,(H2,22,29,30)(H,24,25,28).
What are the key properties of 2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide?
2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide has a molecular weight of 452.50 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide is sourced from PubChem (CID 58574099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).