2-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one

C27H20N4O3S — CID 3297811

IUPAC2-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)N1Cc1cccnc1
InChIInChI=1S/C27H20N4O3S/c32-24-17-35-26(30(24)15-18-7-6-12-28-14-18)22-16-31(20-9-2-1-3-10-20)29-25(22)21-13-19-8-4-5-11-23(19)34-27(21)33/h1-14,16,26H,15,17H2
InChIKeyZCTWJVXHNXZSJA-UHFFFAOYSA-N
MW480.55 g/mol
LogP4.81
Rot. Bonds5

About 2-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one

2-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 3297811) has the molecular formula C27H20N4O3S and a molecular weight of 480.55 g/mol. Its IUPAC name is 2-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID3297811
Molecular FormulaC27H20N4O3S
Molecular Weight480.55 g/mol
Exact Mass480.13
IUPAC Name2-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)N1Cc1cccnc1
InChIInChI=1S/C27H20N4O3S/c32-24-17-35-26(30(24)15-18-7-6-12-28-14-18)22-16-31(20-9-2-1-3-10-20)29-25(22)21-13-19-8-4-5-11-23(19)34-27(21)33/h1-14,16,26H,15,17H2
InChIKeyZCTWJVXHNXZSJA-UHFFFAOYSA-N
XLogP4.81
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-3-(pyridin-3-ylmethyl)-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-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one (CID 3297811) is 2-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one is O=C1CSC(c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)N1Cc1cccnc1.
What is the InChIKey of 2-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is ZCTWJVXHNXZSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O3S/c32-24-17-35-26(30(24)15-18-7-6-12-28-14-18)22-16-31(20-9-2-1-3-10-20)29-25(22)21-13-19-8-4-5-11-23(19)34-27(21)33/h1-14,16,26H,15,17H2.
What are the key properties of 2-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?
2-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 480.55 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3297811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).