3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

C25H19FN4OS — CID 88883649

IUPAC3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CC(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1)Nc1nccs1
InChIInChI=1S/C25H19FN4OS/c26-20-7-9-21(10-8-20)30-23-11-6-18(14-19(23)16-28-30)22(17-4-2-1-3-5-17)15-24(31)29-25-27-12-13-32-25/h1-14,16,22H,15H2,(H,27,29,31)
InChIKeyRZZSCZQOGMDAPA-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.78
Rot. Bonds6

About 3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 88883649) has the molecular formula C25H19FN4OS and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID88883649
Molecular FormulaC25H19FN4OS
Molecular Weight442.52 g/mol
Exact Mass442.13
IUPAC Name3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CC(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1)Nc1nccs1
InChIInChI=1S/C25H19FN4OS/c26-20-7-9-21(10-8-20)30-23-11-6-18(14-19(23)16-28-30)22(17-4-2-1-3-5-17)15-24(31)29-25-27-12-13-32-25/h1-14,16,22H,15H2,(H,27,29,31)
InChIKeyRZZSCZQOGMDAPA-UHFFFAOYSA-N
XLogP5.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide 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 3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (CID 88883649) is 3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is O=C(CC(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1)Nc1nccs1.
What is the InChIKey of 3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is RZZSCZQOGMDAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4OS/c26-20-7-9-21(10-8-20)30-23-11-6-18(14-19(23)16-28-30)22(17-4-2-1-3-5-17)15-24(31)29-25-27-12-13-32-25/h1-14,16,22H,15H2,(H,27,29,31).
What are the key properties of 3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 442.52 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 88883649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).