N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide

C24H22F3N5O2 — CID 55547197

About N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide

N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide (PubChem CID 55547197) has the molecular formula C24H22F3N5O2 and a molecular weight of 469.47 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide
• PubChem CID: 55547197
• Molecular Formula: C24H22F3N5O2
• Molecular Weight: 469.47 g/mol
• Exact Mass: 469.17
• IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide
• SMILES: Cc1cccc(C(C)C)c1NC(=O)Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O
• InChI: InChI=1S/C24H22F3N5O2/c1-14(2)18-9-4-6-15(3)21(18)30-20(33)12-31-13-28-22-19(23(31)34)11-29-32(22)17-8-5-7-16(10-17)24(25,26)27/h4-11,13-14H,12H2,1-3H3,(H,30,33)
• InChIKey: LDVBMMBLCBRVGX-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 81.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.47
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide?

The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide (CID 55547197) is N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide.

What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide?

The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide is Cc1cccc(C(C)C)c1NC(=O)Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O.

What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide?

The InChIKey is LDVBMMBLCBRVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O2/c1-14(2)18-9-4-6-15(3)21(18)30-20(33)12-31-13-28-22-19(23(31)34)11-29-32(22)17-8-5-7-16(10-17)24(25,26)27/h4-11,13-14H,12H2,1-3H3,(H,30,33).

What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide?

N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide has a molecular weight of 469.47 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide is sourced from PubChem (CID 55547197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).