N-(2-fluorophenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide

C23H19F2N5O2S — CID 30836527

IUPACN-(2-fluorophenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)c2sc(N3CCCC3)nc2c1=O)Nc1ccccc1F
InChIInChI=1S/C23H19F2N5O2S/c24-15-9-7-14(8-10-15)19-21-20(27-23(33-21)29-11-3-4-12-29)22(32)30(28-19)13-18(31)26-17-6-2-1-5-16(17)25/h1-2,5-10H,3-4,11-13H2,(H,26,31)
InChIKeyYSYMCRPYJXCGIY-UHFFFAOYSA-N
MW467.50 g/mol
LogP4.04
Rot. Bonds5

About N-(2-fluorophenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide

N-(2-fluorophenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide (PubChem CID 30836527) has the molecular formula C23H19F2N5O2S and a molecular weight of 467.50 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
PubChem CID30836527
Molecular FormulaC23H19F2N5O2S
Molecular Weight467.50 g/mol
Exact Mass467.12
IUPAC NameN-(2-fluorophenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)c2sc(N3CCCC3)nc2c1=O)Nc1ccccc1F
InChIInChI=1S/C23H19F2N5O2S/c24-15-9-7-14(8-10-15)19-21-20(27-23(33-21)29-11-3-4-12-29)22(32)30(28-19)13-18(31)26-17-6-2-1-5-16(17)25/h1-2,5-10H,3-4,11-13H2,(H,26,31)
InChIKeyYSYMCRPYJXCGIY-UHFFFAOYSA-N
XLogP4.04
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-fluorophenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide 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-(2-fluorophenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide (CID 30836527) is N-(2-fluorophenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide is O=C(Cn1nc(-c2ccc(F)cc2)c2sc(N3CCCC3)nc2c1=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The InChIKey is YSYMCRPYJXCGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O2S/c24-15-9-7-14(8-10-15)19-21-20(27-23(33-21)29-11-3-4-12-29)22(32)30(28-19)13-18(31)26-17-6-2-1-5-16(17)25/h1-2,5-10H,3-4,11-13H2,(H,26,31).
What are the key properties of N-(2-fluorophenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
N-(2-fluorophenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide has a molecular weight of 467.50 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide is sourced from PubChem (CID 30836527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).