N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide

C23H22N6O5S — CID 1088465

IUPACN-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESO=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H22N6O5S/c30-21(26-17-6-8-19(9-7-17)35(32,33)28-10-12-34-13-11-28)15-27-16-24-22-20(23(27)31)14-25-29(22)18-4-2-1-3-5-18/h1-9,14,16H,10-13,15H2,(H,26,30)
InChIKeyGFKIHACFFOITCC-UHFFFAOYSA-N
MW494.53 g/mol
LogP1.24
Rot. Bonds6

About N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide

N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 1088465) has the molecular formula C23H22N6O5S and a molecular weight of 494.53 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID1088465
Molecular FormulaC23H22N6O5S
Molecular Weight494.53 g/mol
Exact Mass494.14
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESO=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H22N6O5S/c30-21(26-17-6-8-19(9-7-17)35(32,33)28-10-12-34-13-11-28)15-27-16-24-22-20(23(27)31)14-25-29(22)18-4-2-1-3-5-18/h1-9,14,16H,10-13,15H2,(H,26,30)
InChIKeyGFKIHACFFOITCC-UHFFFAOYSA-N
XLogP1.24
TPSA128.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-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-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 1088465) is N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide is O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is GFKIHACFFOITCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O5S/c30-21(26-17-6-8-19(9-7-17)35(32,33)28-10-12-34-13-11-28)15-27-16-24-22-20(23(27)31)14-25-29(22)18-4-2-1-3-5-18/h1-9,14,16H,10-13,15H2,(H,26,30).
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 494.53 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 1088465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).