2-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)acetamide

C25H25FN4O — CID 23604300

IUPAC2-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)acetamide
SMILESCc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CC(=O)NCCc1ccccc1
InChIInChI=1S/C25H25FN4O/c1-16-22(15-23(31)27-14-13-19-7-5-4-6-8-19)18(3)30-25(28-16)24(17(2)29-30)20-9-11-21(26)12-10-20/h4-12H,13-15H2,1-3H3,(H,27,31)
InChIKeyOSJBZRIMZSFOIS-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.36
Rot. Bonds6

About 2-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)acetamide

2-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)acetamide (PubChem CID 23604300) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)acetamide
PubChem CID23604300
Molecular FormulaC25H25FN4O
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC Name2-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)acetamide
SMILESCc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CC(=O)NCCc1ccccc1
InChIInChI=1S/C25H25FN4O/c1-16-22(15-23(31)27-14-13-19-7-5-4-6-8-19)18(3)30-25(28-16)24(17(2)29-30)20-9-11-21(26)12-10-20/h4-12H,13-15H2,1-3H3,(H,27,31)
InChIKeyOSJBZRIMZSFOIS-UHFFFAOYSA-N
XLogP4.36
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
CID 20863045
N-(pyridin-2-ylmethyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 23603845
N-(3-ethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 20863000
2-(2,4-dimethylquinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 27256543
N-(3-chlorophenyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 23603853
3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-piperidin-1-ylpropan-1-one
CID 20863056
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-phenylpropyl)acetamide
CID 27826614
3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 20863039
N-(1,3-benzodioxol-5-yl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 23603896
3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 50790751
methyl 2-[3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]benzoate
CID 20863327
N-[2-[3-[7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]phenyl]ethyl]-2-(4-phenylphenyl)acetamide
CID 171725784

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)acetamide (CID 23604300) is 2-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)acetamide is Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CC(=O)NCCc1ccccc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is OSJBZRIMZSFOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O/c1-16-22(15-23(31)27-14-13-19-7-5-4-6-8-19)18(3)30-25(28-16)24(17(2)29-30)20-9-11-21(26)12-10-20/h4-12H,13-15H2,1-3H3,(H,27,31).
What are the key properties of 2-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)acetamide?
2-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 416.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 23604300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).