ethyl 2-ethyl-4-[5-[methyl(methylsulfonyl)amino]pyrazin-2-yl]oxyindazole-6-carboxylate

C18H21N5O5S — CID 58574101

IUPACethyl 2-ethyl-4-[5-[methyl(methylsulfonyl)amino]pyrazin-2-yl]oxyindazole-6-carboxylate
SMILESCCOC(=O)c1cc(Oc2cnc(N(C)S(C)(=O)=O)cn2)c2cn(CC)nc2c1
InChIInChI=1S/C18H21N5O5S/c1-5-23-11-13-14(21-23)7-12(18(24)27-6-2)8-15(13)28-17-10-19-16(9-20-17)22(3)29(4,25)26/h7-11H,5-6H2,1-4H3
InChIKeyYZUQQGFXOUIWCL-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.21
Rot. Bonds7

About ethyl 2-ethyl-4-[5-[methyl(methylsulfonyl)amino]pyrazin-2-yl]oxyindazole-6-carboxylate

ethyl 2-ethyl-4-[5-[methyl(methylsulfonyl)amino]pyrazin-2-yl]oxyindazole-6-carboxylate (PubChem CID 58574101) has the molecular formula C18H21N5O5S and a molecular weight of 419.46 g/mol. Its IUPAC name is ethyl 2-ethyl-4-[5-[methyl(methylsulfonyl)amino]pyrazin-2-yl]oxyindazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-4-[5-[methyl(methylsulfonyl)amino]pyrazin-2-yl]oxyindazole-6-carboxylate
PubChem CID58574101
Molecular FormulaC18H21N5O5S
Molecular Weight419.46 g/mol
Exact Mass419.13
IUPAC Nameethyl 2-ethyl-4-[5-[methyl(methylsulfonyl)amino]pyrazin-2-yl]oxyindazole-6-carboxylate
SMILESCCOC(=O)c1cc(Oc2cnc(N(C)S(C)(=O)=O)cn2)c2cn(CC)nc2c1
InChIInChI=1S/C18H21N5O5S/c1-5-23-11-13-14(21-23)7-12(18(24)27-6-2)8-15(13)28-17-10-19-16(9-20-17)22(3)29(4,25)26/h7-11H,5-6H2,1-4H3
InChIKeyYZUQQGFXOUIWCL-UHFFFAOYSA-N
XLogP2.21
TPSA116.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-4-[5-[methyl(methylsulfonyl)amino]pyrazin-2-yl]oxyindazole-6-carboxylate?
The IUPAC name of ethyl 2-ethyl-4-[5-[methyl(methylsulfonyl)amino]pyrazin-2-yl]oxyindazole-6-carboxylate (CID 58574101) is ethyl 2-ethyl-4-[5-[methyl(methylsulfonyl)amino]pyrazin-2-yl]oxyindazole-6-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-4-[5-[methyl(methylsulfonyl)amino]pyrazin-2-yl]oxyindazole-6-carboxylate?
The canonical SMILES for ethyl 2-ethyl-4-[5-[methyl(methylsulfonyl)amino]pyrazin-2-yl]oxyindazole-6-carboxylate is CCOC(=O)c1cc(Oc2cnc(N(C)S(C)(=O)=O)cn2)c2cn(CC)nc2c1.
What is the InChIKey of ethyl 2-ethyl-4-[5-[methyl(methylsulfonyl)amino]pyrazin-2-yl]oxyindazole-6-carboxylate?
The InChIKey is YZUQQGFXOUIWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O5S/c1-5-23-11-13-14(21-23)7-12(18(24)27-6-2)8-15(13)28-17-10-19-16(9-20-17)22(3)29(4,25)26/h7-11H,5-6H2,1-4H3.
What are the key properties of ethyl 2-ethyl-4-[5-[methyl(methylsulfonyl)amino]pyrazin-2-yl]oxyindazole-6-carboxylate?
ethyl 2-ethyl-4-[5-[methyl(methylsulfonyl)amino]pyrazin-2-yl]oxyindazole-6-carboxylate has a molecular weight of 419.46 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-4-[5-[methyl(methylsulfonyl)amino]pyrazin-2-yl]oxyindazole-6-carboxylate is sourced from PubChem (CID 58574101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).