6-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide;7-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide

C44H40N12O6S2 — CID 160906387

IUPAC6-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide;7-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide
SMILESCc1ccc(-n2cc3c(n2)CCc2c(C(N)=O)nn(-c4ccc(S(N)(=O)=O)cc4)c2-3)cc1.Cc1ccc(-n2ncc3c2CCc2c(C(N)=O)nn(-c4ccc(S(N)(=O)=O)cc4)c2-3)cc1
InChIInChI=1S/2C22H20N6O3S/c1-13-2-4-14(5-3-13)27-12-18-19(25-27)11-10-17-20(22(23)29)26-28(21(17)18)15-6-8-16(9-7-15)32(24,30)31;1-13-2-4-14(5-3-13)27-19-11-10-17-20(22(23)29)26-28(21(17)18(19)12-25-27)15-6-8-16(9-7-15)32(24,30)31/h2*2-9,12H,10-11H2,1H3,(H2,23,29)(H2,24,30,31)
InChIKeySQEUEYHLSPHCSB-UHFFFAOYSA-N
MW897.02 g/mol
LogP3.76
Rot. Bonds8

About 6-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide;7-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide

6-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide;7-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide (PubChem CID 160906387) has the molecular formula C44H40N12O6S2 and a molecular weight of 897.02 g/mol. Its IUPAC name is 6-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide;7-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide.

Molecular Properties

Compound Name6-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide;7-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide
PubChem CID160906387
Molecular FormulaC44H40N12O6S2
Molecular Weight897.02 g/mol
Exact Mass896.26
IUPAC Name6-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide;7-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide
SMILESCc1ccc(-n2cc3c(n2)CCc2c(C(N)=O)nn(-c4ccc(S(N)(=O)=O)cc4)c2-3)cc1.Cc1ccc(-n2ncc3c2CCc2c(C(N)=O)nn(-c4ccc(S(N)(=O)=O)cc4)c2-3)cc1
InChIInChI=1S/2C22H20N6O3S/c1-13-2-4-14(5-3-13)27-12-18-19(25-27)11-10-17-20(22(23)29)26-28(21(17)18)15-6-8-16(9-7-15)32(24,30)31;1-13-2-4-14(5-3-13)27-19-11-10-17-20(22(23)29)26-28(21(17)18(19)12-25-27)15-6-8-16(9-7-15)32(24,30)31/h2*2-9,12H,10-11H2,1H3,(H2,23,29)(H2,24,30,31)
InChIKeySQEUEYHLSPHCSB-UHFFFAOYSA-N
XLogP3.76
TPSA277.78 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.02
LogP ≤ 53.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 6-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide;7-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tetrahydro-benzodipyrazole deriv. 7b
CID 135403019
Tetrahydro-benzodipyrazole deriv. 7c
CID 135403020
Tetrahydro-benzodipyrazole deriv. 7d
CID 135403021
Tetrahydro-benzodipyrazole deriv. 7e
CID 135403022
4-[4-[5-methyl-3,4-bis(7-oxo-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-4-yl)pyrazol-1-yl]phenyl]-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
CID 139236290
6-Benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrrolo[2,3-g]indazole-3-carboxamide
CID 10195091
6-Benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide
CID 10216956
6-benzyl-N-methyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide
CID 60099645
6-(4-Methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide
CID 60099740
6-Phenyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide
CID 60099792
6-(4-Methylsulfonylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide
CID 60099867
7-(4-Methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide
CID 60099897

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide;7-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide?
The IUPAC name of 6-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide;7-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide (CID 160906387) is 6-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide;7-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide.
What is the SMILES notation for 6-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide;7-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide?
The canonical SMILES for 6-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide;7-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide is Cc1ccc(-n2cc3c(n2)CCc2c(C(N)=O)nn(-c4ccc(S(N)(=O)=O)cc4)c2-3)cc1.Cc1ccc(-n2ncc3c2CCc2c(C(N)=O)nn(-c4ccc(S(N)(=O)=O)cc4)c2-3)cc1.
What is the InChIKey of 6-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide;7-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide?
The InChIKey is SQEUEYHLSPHCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H20N6O3S/c1-13-2-4-14(5-3-13)27-12-18-19(25-27)11-10-17-20(22(23)29)26-28(21(17)18)15-6-8-16(9-7-15)32(24,30)31;1-13-2-4-14(5-3-13)27-19-11-10-17-20(22(23)29)26-28(21(17)18(19)12-25-27)15-6-8-16(9-7-15)32(24,30)31/h2*2-9,12H,10-11H2,1H3,(H2,23,29)(H2,24,30,31).
What are the key properties of 6-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide;7-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide?
6-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide;7-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide has a molecular weight of 897.02 g/mol, XLogP of 3.76, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide;7-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide is sourced from PubChem (CID 160906387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).