1-[4-(AMINOSULFONYL)PHENYL]-1,6-DIHYDROPYRAZOLO[3,4-E]INDAZOLE-3-CARBOXAMIDE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.

Phenylpyrazoles

Organic compounds

Organoheterocyclic compounds

Azoles

Pyrazoles

Calculated Property

kind Value Source
logP 1.02 ALOGPS
logS -3.1 ALOGPS
Water Solubility 2.61e-01 g/l ALOGPS
logP 0.24 ChemAxon
IUPAC Name 1-(4-sulfamoylphenyl)-1H,6H-pyrazolo[3,4-g]indazole-3-carboxamide ChemAxon
Traditional IUPAC Name 1-(4-sulfamoylphenyl)-6H-pyrazolo[3,4-g]indazole-3-carboxamide ChemAxon
Molecular Weight 356.359 ChemAxon
Monoisotopic Weight 356.06915897 ChemAxon
SMILES NC(=O)C1=NN(C2=C1C=CC1=C2C=NN1)C1=CC=C(C=C1)S(N)(=O)=O ChemAxon
Molecular Formula C15H12N6O3S ChemAxon
InChI InChI=1S/C15H12N6O3S/c16-15(22)13-10-5-6-12-11(7-18-19-12)14(10)21(20-13)8-1-3-9(4-2-8)25(17,23)24/h1-7H,(H2,16,22)(H,18,19)(H2,17,23,24) ChemAxon
InChIKey InChIKey=HGAKLLFPOGATII-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 149.75 ChemAxon
Refractivity 91.63 ChemAxon
Polarizability 34.41 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 10.67 ChemAxon
pKa (strongest basic) 0.9 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 4 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Cyclin-A2 : in Human
  • Cyclin-dependent kinase 2 : in Human