2-phenyl-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide

C23H17N5OS — CID 127036561

IUPAC2-phenyl-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide
SMILESO=C(Cc1ccccc1)Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C23H17N5OS/c29-20(14-16-8-3-1-4-9-16)25-23-21-18(24-22(26-23)19-12-7-13-30-19)15-28(27-21)17-10-5-2-6-11-17/h1-13,15H,14H2,(H,24,25,26,29)
InChIKeyPMZQWTKPBDGCHO-UHFFFAOYSA-N
MW411.49 g/mol
LogP4.73
Rot. Bonds5

About 2-phenyl-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide

2-phenyl-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide (PubChem CID 127036561) has the molecular formula C23H17N5OS and a molecular weight of 411.49 g/mol. Its IUPAC name is 2-phenyl-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide.

Molecular Properties

Compound Name2-phenyl-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide
PubChem CID127036561
Molecular FormulaC23H17N5OS
Molecular Weight411.49 g/mol
Exact Mass411.12
IUPAC Name2-phenyl-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide
SMILESO=C(Cc1ccccc1)Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C23H17N5OS/c29-20(14-16-8-3-1-4-9-16)25-23-21-18(24-22(26-23)19-12-7-13-30-19)15-28(27-21)17-10-5-2-6-11-17/h1-13,15H,14H2,(H,24,25,26,29)
InChIKeyPMZQWTKPBDGCHO-UHFFFAOYSA-N
XLogP4.73
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-phenyl-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-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 2-phenyl-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide?
The IUPAC name of 2-phenyl-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide (CID 127036561) is 2-phenyl-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide.
What is the SMILES notation for 2-phenyl-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide?
The canonical SMILES for 2-phenyl-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide is O=C(Cc1ccccc1)Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12.
What is the InChIKey of 2-phenyl-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide?
The InChIKey is PMZQWTKPBDGCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5OS/c29-20(14-16-8-3-1-4-9-16)25-23-21-18(24-22(26-23)19-12-7-13-30-19)15-28(27-21)17-10-5-2-6-11-17/h1-13,15H,14H2,(H,24,25,26,29).
What are the key properties of 2-phenyl-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide?
2-phenyl-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide has a molecular weight of 411.49 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide is sourced from PubChem (CID 127036561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).