ethyl 6-[(4-propoxycarbonylphenyl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate

C18H20N4O6S — CID 99783079

IUPACethyl 6-[(4-propoxycarbonylphenyl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate
SMILESCCCOC(=O)c1ccc(S(=O)(=O)Nc2[nH]n3ccnc3c2C(=O)OCC)cc1
InChIInChI=1S/C18H20N4O6S/c1-3-11-28-17(23)12-5-7-13(8-6-12)29(25,26)21-15-14(18(24)27-4-2)16-19-9-10-22(16)20-15/h5-10,20-21H,3-4,11H2,1-2H3
InChIKeyUTNBUWSFMYQTEO-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.21
Rot. Bonds8

About ethyl 6-[(4-propoxycarbonylphenyl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate

ethyl 6-[(4-propoxycarbonylphenyl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate (PubChem CID 99783079) has the molecular formula C18H20N4O6S and a molecular weight of 420.45 g/mol. Its IUPAC name is ethyl 6-[(4-propoxycarbonylphenyl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(4-propoxycarbonylphenyl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate
PubChem CID99783079
Molecular FormulaC18H20N4O6S
Molecular Weight420.45 g/mol
Exact Mass420.11
IUPAC Nameethyl 6-[(4-propoxycarbonylphenyl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate
SMILESCCCOC(=O)c1ccc(S(=O)(=O)Nc2[nH]n3ccnc3c2C(=O)OCC)cc1
InChIInChI=1S/C18H20N4O6S/c1-3-11-28-17(23)12-5-7-13(8-6-12)29(25,26)21-15-14(18(24)27-4-2)16-19-9-10-22(16)20-15/h5-10,20-21H,3-4,11H2,1-2H3
InChIKeyUTNBUWSFMYQTEO-UHFFFAOYSA-N
XLogP2.21
TPSA131.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 6-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate
CID 75456361
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
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ethyl 4-(hydrazinesulfonyl)benzoate
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ethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate
CID 1308869
ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 31754196
propyl 4-(1H-pyrrol-3-ylsulfonylamino)benzoate
CID 43624126
propyl 4-pyrrolidin-1-ylsulfonylbenzoate
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methyl 1-[2-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]triazole-4-carboxylate
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propyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 22774734

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(4-propoxycarbonylphenyl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate?
The IUPAC name of ethyl 6-[(4-propoxycarbonylphenyl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate (CID 99783079) is ethyl 6-[(4-propoxycarbonylphenyl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate.
What is the SMILES notation for ethyl 6-[(4-propoxycarbonylphenyl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate?
The canonical SMILES for ethyl 6-[(4-propoxycarbonylphenyl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate is CCCOC(=O)c1ccc(S(=O)(=O)Nc2[nH]n3ccnc3c2C(=O)OCC)cc1.
What is the InChIKey of ethyl 6-[(4-propoxycarbonylphenyl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate?
The InChIKey is UTNBUWSFMYQTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O6S/c1-3-11-28-17(23)12-5-7-13(8-6-12)29(25,26)21-15-14(18(24)27-4-2)16-19-9-10-22(16)20-15/h5-10,20-21H,3-4,11H2,1-2H3.
What are the key properties of ethyl 6-[(4-propoxycarbonylphenyl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate?
ethyl 6-[(4-propoxycarbonylphenyl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate has a molecular weight of 420.45 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(4-propoxycarbonylphenyl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate is sourced from PubChem (CID 99783079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).