N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide

C23H17N5O2S2 — CID 136605503

About N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide

N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 136605503) has the molecular formula C23H17N5O2S2 and a molecular weight of 459.56 g/mol. Its IUPAC name is N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide
• PubChem CID: 136605503
• Molecular Formula: C23H17N5O2S2
• Molecular Weight: 459.56 g/mol
• Exact Mass: 459.08
• IUPAC Name: N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide
• SMILES: O=C(Cc1cccs1)Nc1cc(-c2cccs2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1
• InChI: InChI=1S/C23H17N5O2S2/c29-21(12-16-8-4-10-31-16)25-20-13-18(19-9-5-11-32-19)27-28(20)23-24-17(14-22(30)26-23)15-6-2-1-3-7-15/h1-11,13-14H,12H2,(H,25,29)(H,24,26,30)
• InChIKey: JUIYXDTVVBSEGD-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 92.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.56
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide?

The IUPAC name of N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide (CID 136605503) is N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide.

What is the SMILES notation for N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide?

The canonical SMILES for N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1cc(-c2cccs2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1.

What is the InChIKey of N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide?

The InChIKey is JUIYXDTVVBSEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2S2/c29-21(12-16-8-4-10-31-16)25-20-13-18(19-9-5-11-32-19)27-28(20)23-24-17(14-22(30)26-23)15-6-2-1-3-7-15/h1-11,13-14H,12H2,(H,25,29)(H,24,26,30).

What are the key properties of N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide?

N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide has a molecular weight of 459.56 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 136605503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).