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

C22H21N5O4S — CID 46911020

IUPAC4-(4-ethylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
SMILESCCS(=O)(=O)c1ccc(Oc2cc(C(=O)Nc3cnc(C)cn3)cc3nn(C)cc23)cc1
InChIInChI=1S/C22H21N5O4S/c1-4-32(29,30)17-7-5-16(6-8-17)31-20-10-15(9-19-18(20)13-27(3)26-19)22(28)25-21-12-23-14(2)11-24-21/h5-13H,4H2,1-3H3,(H,24,25,28)
InChIKeyXDESBYJMYYMFGZ-UHFFFAOYSA-N
MW451.51 g/mol
LogP3.51
Rot. Bonds6

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

4-(4-ethylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide (PubChem CID 46911020) has the molecular formula C22H21N5O4S and a molecular weight of 451.51 g/mol. Its IUPAC name is 4-(4-ethylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide.

Molecular Properties

Compound Name4-(4-ethylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
PubChem CID46911020
Molecular FormulaC22H21N5O4S
Molecular Weight451.51 g/mol
Exact Mass451.13
IUPAC Name4-(4-ethylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
SMILESCCS(=O)(=O)c1ccc(Oc2cc(C(=O)Nc3cnc(C)cn3)cc3nn(C)cc23)cc1
InChIInChI=1S/C22H21N5O4S/c1-4-32(29,30)17-7-5-16(6-8-17)31-20-10-15(9-19-18(20)13-27(3)26-19)22(28)25-21-12-23-14(2)11-24-21/h5-13H,4H2,1-3H3,(H,24,25,28)
InChIKeyXDESBYJMYYMFGZ-UHFFFAOYSA-N
XLogP3.51
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?
The IUPAC name of 4-(4-ethylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide (CID 46911020) is 4-(4-ethylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide.
What is the SMILES notation for 4-(4-ethylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?
The canonical SMILES for 4-(4-ethylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide is CCS(=O)(=O)c1ccc(Oc2cc(C(=O)Nc3cnc(C)cn3)cc3nn(C)cc23)cc1.
What is the InChIKey of 4-(4-ethylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?
The InChIKey is XDESBYJMYYMFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4S/c1-4-32(29,30)17-7-5-16(6-8-17)31-20-10-15(9-19-18(20)13-27(3)26-19)22(28)25-21-12-23-14(2)11-24-21/h5-13H,4H2,1-3H3,(H,24,25,28).
What are the key properties of 4-(4-ethylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?
4-(4-ethylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide has a molecular weight of 451.51 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide is sourced from PubChem (CID 46911020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).