N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide

C23H21N7OS — CID 18570214

About N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide

N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 18570214) has the molecular formula C23H21N7OS and a molecular weight of 443.54 g/mol. Its IUPAC name is N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide
• PubChem CID: 18570214
• Molecular Formula: C23H21N7OS
• Molecular Weight: 443.54 g/mol
• Exact Mass: 443.15
• IUPAC Name: N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide
• SMILES: Cc1ccc(-n2ncc3c(-n4nc(C)cc4NC(=O)Cc4cccs4)ncnc32)c(C)c1
• InChI: InChI=1S/C23H21N7OS/c1-14-6-7-19(15(2)9-14)29-22-18(12-26-29)23(25-13-24-22)30-20(10-16(3)28-30)27-21(31)11-17-5-4-8-32-17/h4-10,12-13H,11H2,1-3H3,(H,27,31)
• InChIKey: OFHVVQITFVHJBA-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.54
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide?

The IUPAC name of N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide (CID 18570214) is N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide.

What is the SMILES notation for N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide?

The canonical SMILES for N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide is Cc1ccc(-n2ncc3c(-n4nc(C)cc4NC(=O)Cc4cccs4)ncnc32)c(C)c1.

What is the InChIKey of N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide?

The InChIKey is OFHVVQITFVHJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7OS/c1-14-6-7-19(15(2)9-14)29-22-18(12-26-29)23(25-13-24-22)30-20(10-16(3)28-30)27-21(31)11-17-5-4-8-32-17/h4-10,12-13H,11H2,1-3H3,(H,27,31).

What are the key properties of N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide?

N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 443.54 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 18570214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).