N-[(E)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide

C26H19N5O2S — CID 46192135

IUPACN-[(E)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide
SMILESO=C(N/N=C1/SCC(=O)N1c1ccccc1)c1nn(-c2ccccc2)c2c1Cc1ccccc1-2
InChIInChI=1S/C26H19N5O2S/c32-22-16-34-26(30(22)18-10-3-1-4-11-18)28-27-25(33)23-21-15-17-9-7-8-14-20(17)24(21)31(29-23)19-12-5-2-6-13-19/h1-14H,15-16H2,(H,27,33)/b28-26+
InChIKeyXQIMWRHJJAESOR-BYCLXTJYSA-N
MW465.54 g/mol
LogP4.22
Rot. Bonds4

About N-[(E)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide

N-[(E)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide (PubChem CID 46192135) has the molecular formula C26H19N5O2S and a molecular weight of 465.54 g/mol. Its IUPAC name is N-[(E)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide
PubChem CID46192135
Molecular FormulaC26H19N5O2S
Molecular Weight465.54 g/mol
Exact Mass465.13
IUPAC NameN-[(E)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide
SMILESO=C(N/N=C1/SCC(=O)N1c1ccccc1)c1nn(-c2ccccc2)c2c1Cc1ccccc1-2
InChIInChI=1S/C26H19N5O2S/c32-22-16-34-26(30(22)18-10-3-1-4-11-18)28-27-25(33)23-21-15-17-9-7-8-14-20(17)24(21)31(29-23)19-12-5-2-6-13-19/h1-14H,15-16H2,(H,27,33)/b28-26+
InChIKeyXQIMWRHJJAESOR-BYCLXTJYSA-N
XLogP4.22
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(E)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-1-phenyl-4H-indeno[2,1-d]pyrazole-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

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide (CID 46192135) is N-[(E)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide is O=C(N/N=C1/SCC(=O)N1c1ccccc1)c1nn(-c2ccccc2)c2c1Cc1ccccc1-2.
What is the InChIKey of N-[(E)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The InChIKey is XQIMWRHJJAESOR-BYCLXTJYSA-N. The full InChI is InChI=1S/C26H19N5O2S/c32-22-16-34-26(30(22)18-10-3-1-4-11-18)28-27-25(33)23-21-15-17-9-7-8-14-20(17)24(21)31(29-23)19-12-5-2-6-13-19/h1-14H,15-16H2,(H,27,33)/b28-26+.
What are the key properties of N-[(E)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide?
N-[(E)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide has a molecular weight of 465.54 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide is sourced from PubChem (CID 46192135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).