6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide

C22H20N6O3S — CID 10216956

IUPAC6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1c-2cnn1Cc1ccccc1
InChIInChI=1S/C22H20N6O3S/c23-22(29)20-17-10-11-19-18(12-25-27(19)13-14-4-2-1-3-5-14)21(17)28(26-20)15-6-8-16(9-7-15)32(24,30)31/h1-9,12H,10-11,13H2,(H2,23,29)(H2,24,30,31)
InChIKeyUJINJXNOUOBKPJ-UHFFFAOYSA-N
MW448.51 g/mol
LogP1.63
Rot. Bonds5

About 6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide

6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide (PubChem CID 10216956) has the molecular formula C22H20N6O3S and a molecular weight of 448.51 g/mol. Its IUPAC name is 6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide.

Molecular Properties

Compound Name6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide
PubChem CID10216956
Molecular FormulaC22H20N6O3S
Molecular Weight448.51 g/mol
Exact Mass448.13
IUPAC Name6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1c-2cnn1Cc1ccccc1
InChIInChI=1S/C22H20N6O3S/c23-22(29)20-17-10-11-19-18(12-25-27(19)13-14-4-2-1-3-5-14)21(17)28(26-20)15-6-8-16(9-7-15)32(24,30)31/h1-9,12H,10-11,13H2,(H2,23,29)(H2,24,30,31)
InChIKeyUJINJXNOUOBKPJ-UHFFFAOYSA-N
XLogP1.63
TPSA138.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide?
The IUPAC name of 6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide (CID 10216956) is 6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide.
What is the SMILES notation for 6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide?
The canonical SMILES for 6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide is NC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1c-2cnn1Cc1ccccc1.
What is the InChIKey of 6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide?
The InChIKey is UJINJXNOUOBKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3S/c23-22(29)20-17-10-11-19-18(12-25-27(19)13-14-4-2-1-3-5-14)21(17)28(26-20)15-6-8-16(9-7-15)32(24,30)31/h1-9,12H,10-11,13H2,(H2,23,29)(H2,24,30,31).
What are the key properties of 6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide?
6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide has a molecular weight of 448.51 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide is sourced from PubChem (CID 10216956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).