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

C21H19N5O4S — CID 46910963

IUPAC2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)c3cn(C)nc3c2)cn1
InChIInChI=1S/C21H19N5O4S/c1-13-10-23-20(11-22-13)24-21(27)14-8-18-17(12-26(2)25-18)19(9-14)30-15-4-6-16(7-5-15)31(3,28)29/h4-12H,1-3H3,(H,23,24,27)
InChIKeyCEMHBKRKARYDIJ-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.12
Rot. Bonds5

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

2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide (PubChem CID 46910963) has the molecular formula C21H19N5O4S and a molecular weight of 437.48 g/mol. Its IUPAC name is 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide
PubChem CID46910963
Molecular FormulaC21H19N5O4S
Molecular Weight437.48 g/mol
Exact Mass437.12
IUPAC Name2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)c3cn(C)nc3c2)cn1
InChIInChI=1S/C21H19N5O4S/c1-13-10-23-20(11-22-13)24-21(27)14-8-18-17(12-26(2)25-18)19(9-14)30-15-4-6-16(7-5-15)31(3,28)29/h4-12H,1-3H3,(H,23,24,27)
InChIKeyCEMHBKRKARYDIJ-UHFFFAOYSA-N
XLogP3.12
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
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-methylsulfonylphenoxy)indazole-6-carboxamide?
The IUPAC name of 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide (CID 46910963) is 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide is Cc1cnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)c3cn(C)nc3c2)cn1.
What is the InChIKey of 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide?
The InChIKey is CEMHBKRKARYDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4S/c1-13-10-23-20(11-22-13)24-21(27)14-8-18-17(12-26(2)25-18)19(9-14)30-15-4-6-16(7-5-15)31(3,28)29/h4-12H,1-3H3,(H,23,24,27).
What are the key properties of 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide?
2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 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-methylsulfonylphenoxy)indazole-6-carboxamide is sourced from PubChem (CID 46910963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).