2-[[4-(4-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl]imino]-3-phenyl-1,3-thiazolidin-4-one

C22H16ClN5OS — CID 10526811

IUPAC2-[[4-(4-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl]imino]-3-phenyl-1,3-thiazolidin-4-one
SMILESCc1cc(-c2ccc(Cl)cc2)c2c(/N=C3\SCC(=O)N3c3ccccc3)n[nH]c2n1
InChIInChI=1S/C22H16ClN5OS/c1-13-11-17(14-7-9-15(23)10-8-14)19-20(24-13)26-27-21(19)25-22-28(18(29)12-30-22)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,24,26,27)/b25-22-
InChIKeyCPAKQNFZLVFJKG-LVWGJNHUSA-N
MW433.92 g/mol
LogP5.35
Rot. Bonds3

About 2-[[4-(4-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl]imino]-3-phenyl-1,3-thiazolidin-4-one

2-[[4-(4-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl]imino]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 10526811) has the molecular formula C22H16ClN5OS and a molecular weight of 433.92 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl]imino]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl]imino]-3-phenyl-1,3-thiazolidin-4-one
PubChem CID10526811
Molecular FormulaC22H16ClN5OS
Molecular Weight433.92 g/mol
Exact Mass433.08
IUPAC Name2-[[4-(4-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl]imino]-3-phenyl-1,3-thiazolidin-4-one
SMILESCc1cc(-c2ccc(Cl)cc2)c2c(/N=C3\SCC(=O)N3c3ccccc3)n[nH]c2n1
InChIInChI=1S/C22H16ClN5OS/c1-13-11-17(14-7-9-15(23)10-8-14)19-20(24-13)26-27-21(19)25-22-28(18(29)12-30-22)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,24,26,27)/b25-22-
InChIKeyCPAKQNFZLVFJKG-LVWGJNHUSA-N
XLogP5.35
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.92
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[4-(4-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl]imino]-3-phenyl-1,3-thiazolidin-4-one 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 2-[[4-(4-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl]imino]-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[4-(4-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl]imino]-3-phenyl-1,3-thiazolidin-4-one (CID 10526811) is 2-[[4-(4-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl]imino]-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl]imino]-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[4-(4-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl]imino]-3-phenyl-1,3-thiazolidin-4-one is Cc1cc(-c2ccc(Cl)cc2)c2c(/N=C3\SCC(=O)N3c3ccccc3)n[nH]c2n1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl]imino]-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is CPAKQNFZLVFJKG-LVWGJNHUSA-N. The full InChI is InChI=1S/C22H16ClN5OS/c1-13-11-17(14-7-9-15(23)10-8-14)19-20(24-13)26-27-21(19)25-22-28(18(29)12-30-22)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,24,26,27)/b25-22-.
What are the key properties of 2-[[4-(4-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl]imino]-3-phenyl-1,3-thiazolidin-4-one?
2-[[4-(4-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl]imino]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 433.92 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl]imino]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 10526811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).