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

C22H21N5O4S — CID 46911181

IUPAC2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide
SMILESCCn1cc2c(Oc3ccc(S(C)(=O)=O)cc3)cc(C(=O)Nc3cnc(C)cn3)cc2n1
InChIInChI=1S/C22H21N5O4S/c1-4-27-13-18-19(26-27)9-15(22(28)25-21-12-23-14(2)11-24-21)10-20(18)31-16-5-7-17(8-6-16)32(3,29)30/h5-13H,4H2,1-3H3,(H,24,25,28)
InChIKeyVSJORLZCLQYWOQ-UHFFFAOYSA-N
MW451.51 g/mol
LogP3.60
Rot. Bonds6

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

2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide (PubChem CID 46911181) has the molecular formula C22H21N5O4S and a molecular weight of 451.51 g/mol. Its IUPAC name is 2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide
PubChem CID46911181
Molecular FormulaC22H21N5O4S
Molecular Weight451.51 g/mol
Exact Mass451.13
IUPAC Name2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide
SMILESCCn1cc2c(Oc3ccc(S(C)(=O)=O)cc3)cc(C(=O)Nc3cnc(C)cn3)cc2n1
InChIInChI=1S/C22H21N5O4S/c1-4-27-13-18-19(26-27)9-15(22(28)25-21-12-23-14(2)11-24-21)10-20(18)31-16-5-7-17(8-6-16)32(3,29)30/h5-13H,4H2,1-3H3,(H,24,25,28)
InChIKeyVSJORLZCLQYWOQ-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
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-methylsulfonylphenoxy)indazole-6-carboxamide?
The IUPAC name of 2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide (CID 46911181) is 2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide.
What is the SMILES notation for 2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide?
The canonical SMILES for 2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide is CCn1cc2c(Oc3ccc(S(C)(=O)=O)cc3)cc(C(=O)Nc3cnc(C)cn3)cc2n1.
What is the InChIKey of 2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide?
The InChIKey is VSJORLZCLQYWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4S/c1-4-27-13-18-19(26-27)9-15(22(28)25-21-12-23-14(2)11-24-21)10-20(18)31-16-5-7-17(8-6-16)32(3,29)30/h5-13H,4H2,1-3H3,(H,24,25,28).
What are the key properties of 2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide?
2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide has a molecular weight of 451.51 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 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-methylsulfonylphenoxy)indazole-6-carboxamide is sourced from PubChem (CID 46911181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).