2,4-dimethoxy-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide

C23H23N5O4S — CID 136605722

About 2,4-dimethoxy-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide

2,4-dimethoxy-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide (PubChem CID 136605722) has the molecular formula C23H23N5O4S and a molecular weight of 465.54 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide.

Molecular Properties

• Compound Name: 2,4-dimethoxy-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
• PubChem CID: 136605722
• Molecular Formula: C23H23N5O4S
• Molecular Weight: 465.54 g/mol
• Exact Mass: 465.15
• IUPAC Name: 2,4-dimethoxy-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
• SMILES: COc1ccc(C(=O)Nc2cc(-c3cccs3)nn2-c2nc(C(C)C)cc(=O)[nH]2)c(OC)c1
• InChI: InChI=1S/C23H23N5O4S/c1-13(2)16-12-21(29)26-23(24-16)28-20(11-17(27-28)19-6-5-9-33-19)25-22(30)15-8-7-14(31-3)10-18(15)32-4/h5-13H,1-4H3,(H,25,30)(H,24,26,29)
• InChIKey: QQMSXQHXOSBQLO-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 111.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.54
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2,4-dimethoxy-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide (CID 136605722) is 2,4-dimethoxy-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide.

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

The canonical SMILES for 2,4-dimethoxy-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide is COc1ccc(C(=O)Nc2cc(-c3cccs3)nn2-c2nc(C(C)C)cc(=O)[nH]2)c(OC)c1.

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

The InChIKey is QQMSXQHXOSBQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S/c1-13(2)16-12-21(29)26-23(24-16)28-20(11-17(27-28)19-6-5-9-33-19)25-22(30)15-8-7-14(31-3)10-18(15)32-4/h5-13H,1-4H3,(H,25,30)(H,24,26,29).

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

2,4-dimethoxy-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide has a molecular weight of 465.54 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethoxy-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide is sourced from PubChem (CID 136605722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).