3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C18H15FN6O2S — CID 16882859

IUPAC3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)CCn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)n1
InChIInChI=1S/C18H15FN6O2S/c1-11-9-28-18(22-11)23-15(26)6-7-24-10-20-16-14(17(24)27)8-21-25(16)13-4-2-12(19)3-5-13/h2-5,8-10H,6-7H2,1H3,(H,22,23,26)
InChIKeyQWCUGJKWJCGINY-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.52
Rot. Bonds5

About 3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide

3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 16882859) has the molecular formula C18H15FN6O2S and a molecular weight of 398.42 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID16882859
Molecular FormulaC18H15FN6O2S
Molecular Weight398.42 g/mol
Exact Mass398.10
IUPAC Name3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)CCn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)n1
InChIInChI=1S/C18H15FN6O2S/c1-11-9-28-18(22-11)23-15(26)6-7-24-10-20-16-14(17(24)27)8-21-25(16)13-4-2-12(19)3-5-13/h2-5,8-10H,6-7H2,1H3,(H,22,23,26)
InChIKeyQWCUGJKWJCGINY-UHFFFAOYSA-N
XLogP2.52
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-methyl-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)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 16882859) is 3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)CCn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)n1.
What is the InChIKey of 3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is QWCUGJKWJCGINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O2S/c1-11-9-28-18(22-11)23-15(26)6-7-24-10-20-16-14(17(24)27)8-21-25(16)13-4-2-12(19)3-5-13/h2-5,8-10H,6-7H2,1H3,(H,22,23,26).
What are the key properties of 3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 398.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 16882859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).