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

C25H23N7OS — CID 27487080

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

N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide (PubChem CID 27487080) has the molecular formula C25H23N7OS and a molecular weight of 469.57 g/mol. Its IUPAC name is N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide.

Molecular Properties

• Compound Name: N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide
• PubChem CID: 27487080
• Molecular Formula: C25H23N7OS
• Molecular Weight: 469.57 g/mol
• Exact Mass: 469.17
• IUPAC Name: N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide
• SMILES: CSc1ccccc1C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccc(C)cc1C
• InChI: InChI=1S/C25H23N7OS/c1-15-9-10-20(16(2)11-15)31-23-19(13-28-31)24(27-14-26-23)32-22(12-17(3)30-32)29-25(33)18-7-5-6-8-21(18)34-4/h5-14H,1-4H3,(H,29,33)
• InChIKey: MCQHXMIJXFAAOO-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.57
LogP ≤ 5	4.90
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-methylsulfanylbenzamide?

The IUPAC name of N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide (CID 27487080) is N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide.

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

The canonical SMILES for N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccc(C)cc1C.

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

The InChIKey is MCQHXMIJXFAAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7OS/c1-15-9-10-20(16(2)11-15)31-23-19(13-28-31)24(27-14-26-23)32-22(12-17(3)30-32)29-25(33)18-7-5-6-8-21(18)34-4/h5-14H,1-4H3,(H,29,33).

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

N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide has a molecular weight of 469.57 g/mol, XLogP of 4.90, 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-methylsulfanylbenzamide is sourced from PubChem (CID 27487080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).