2-(3,4-dimethoxyphenyl)-N-[3-(3-fluoro-4-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide

C25H25FN4O3 — CID 68752643

IUPAC2-(3,4-dimethoxyphenyl)-N-[3-(3-fluoro-4-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2nn3c(C)cc(C)nc3c2-c2ccc(C)c(F)c2)cc1OC
InChIInChI=1S/C25H25FN4O3/c1-14-6-8-18(13-19(14)26)23-24(29-30-16(3)10-15(2)27-25(23)30)28-22(31)12-17-7-9-20(32-4)21(11-17)33-5/h6-11,13H,12H2,1-5H3,(H,28,29,31)
InChIKeyGGOHTQOIUOMTSR-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.66
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[3-(3-fluoro-4-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide

2-(3,4-dimethoxyphenyl)-N-[3-(3-fluoro-4-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide (PubChem CID 68752643) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[3-(3-fluoro-4-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[3-(3-fluoro-4-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide
PubChem CID68752643
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[3-(3-fluoro-4-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2nn3c(C)cc(C)nc3c2-c2ccc(C)c(F)c2)cc1OC
InChIInChI=1S/C25H25FN4O3/c1-14-6-8-18(13-19(14)26)23-24(29-30-16(3)10-15(2)27-25(23)30)28-22(31)12-17-7-9-20(32-4)21(11-17)33-5/h6-11,13H,12H2,1-5H3,(H,28,29,31)
InChIKeyGGOHTQOIUOMTSR-UHFFFAOYSA-N
XLogP4.66
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 41484310
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
N-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440606
3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9215674
2-(3,4-dimethoxyphenyl)-N-(2,6,8-trimethylquinolin-4-yl)acetamide
CID 42589559
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 8721137
3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(2,6-dimethylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134792
3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134796
2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide
CID 113046587
2-(3-methoxy-4-methylphenyl)-N-(1-methylpyrazol-3-yl)acetamide
CID 16622145
2-(3-fluoro-4-methoxyphenyl)-N-(2-methylphenyl)acetamide
CID 9042833
2-(3,4-dimethoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7831958

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(3-fluoro-4-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(3-fluoro-4-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide (CID 68752643) is 2-(3,4-dimethoxyphenyl)-N-[3-(3-fluoro-4-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[3-(3-fluoro-4-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[3-(3-fluoro-4-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide is COc1ccc(CC(=O)Nc2nn3c(C)cc(C)nc3c2-c2ccc(C)c(F)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[3-(3-fluoro-4-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
The InChIKey is GGOHTQOIUOMTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3/c1-14-6-8-18(13-19(14)26)23-24(29-30-16(3)10-15(2)27-25(23)30)28-22(31)12-17-7-9-20(32-4)21(11-17)33-5/h6-11,13H,12H2,1-5H3,(H,28,29,31).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[3-(3-fluoro-4-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[3-(3-fluoro-4-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide has a molecular weight of 448.50 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[3-(3-fluoro-4-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 68752643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).