4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide

C26H20N8O3S — CID 11670909

IUPAC4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCOc1ccc(-c2nnc3c4ccccc4c(Nc4ccc(S(=O)(=O)Nc5ncccn5)cc4)nn23)cc1
InChIInChI=1S/C26H20N8O3S/c1-37-19-11-7-17(8-12-19)24-30-31-25-22-6-3-2-5-21(22)23(32-34(24)25)29-18-9-13-20(14-10-18)38(35,36)33-26-27-15-4-16-28-26/h2-16H,1H3,(H,29,32)(H,27,28,33)
InChIKeyPKZZQQQSLBZIMN-UHFFFAOYSA-N
MW524.57 g/mol
LogP4.29
Rot. Bonds7

About 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide

4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 11670909) has the molecular formula C26H20N8O3S and a molecular weight of 524.57 g/mol. Its IUPAC name is 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID11670909
Molecular FormulaC26H20N8O3S
Molecular Weight524.57 g/mol
Exact Mass524.14
IUPAC Name4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCOc1ccc(-c2nnc3c4ccccc4c(Nc4ccc(S(=O)(=O)Nc5ncccn5)cc4)nn23)cc1
InChIInChI=1S/C26H20N8O3S/c1-37-19-11-7-17(8-12-19)24-30-31-25-22-6-3-2-5-21(22)23(32-34(24)25)29-18-9-13-20(14-10-18)38(35,36)33-26-27-15-4-16-28-26/h2-16H,1H3,(H,29,32)(H,27,28,33)
InChIKeyPKZZQQQSLBZIMN-UHFFFAOYSA-N
XLogP4.29
TPSA136.29 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.57
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide (CID 11670909) is 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide is COc1ccc(-c2nnc3c4ccccc4c(Nc4ccc(S(=O)(=O)Nc5ncccn5)cc4)nn23)cc1.
What is the InChIKey of 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is PKZZQQQSLBZIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N8O3S/c1-37-19-11-7-17(8-12-19)24-30-31-25-22-6-3-2-5-21(22)23(32-34(24)25)29-18-9-13-20(14-10-18)38(35,36)33-26-27-15-4-16-28-26/h2-16H,1H3,(H,29,32)(H,27,28,33).
What are the key properties of 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide?
4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 524.57 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 11670909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).