N-(2,5-dimethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide

C26H28N4O3 — CID 53093229

IUPACN-(2,5-dimethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCOc1ccccc1-c1cc2n(C)c(C)c(CCC(=O)Nc3cc(C)ccc3C)c(=O)n2n1
InChIInChI=1S/C26H28N4O3/c1-16-10-11-17(2)21(14-16)27-24(31)13-12-19-18(3)29(4)25-15-22(28-30(25)26(19)32)20-8-6-7-9-23(20)33-5/h6-11,14-15H,12-13H2,1-5H3,(H,27,31)
InChIKeyVTSPTXJGFNHGIO-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.21
Rot. Bonds6

About N-(2,5-dimethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide

N-(2,5-dimethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide (PubChem CID 53093229) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
PubChem CID53093229
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-(2,5-dimethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCOc1ccccc1-c1cc2n(C)c(C)c(CCC(=O)Nc3cc(C)ccc3C)c(=O)n2n1
InChIInChI=1S/C26H28N4O3/c1-16-10-11-17(2)21(14-16)27-24(31)13-12-19-18(3)29(4)25-15-22(28-30(25)26(19)32)20-8-6-7-9-23(20)33-5/h6-11,14-15H,12-13H2,1-5H3,(H,27,31)
InChIKeyVTSPTXJGFNHGIO-UHFFFAOYSA-N
XLogP4.21
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-methylphenyl)propanamide
CID 53030448
3-[2-(3,4-dimethoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(2,5-dimethylphenyl)propanamide
CID 53093282
N-[(4-chlorophenyl)methyl]-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 53030453
N-(2,4-dimethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 53093243
6-[3-(azepan-1-yl)-3-oxopropyl]-2-(2-methoxyphenyl)-4,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one
CID 53030432
2-(2-methoxyphenyl)-4,5-dimethyl-6-(3-morpholin-4-yl-3-oxopropyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 53009193
3-[4,5-dimethyl-7-oxo-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-fluorophenyl)propanamide
CID 53030585
3-[2-(3,4-dimethoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 53030581
3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide
CID 23604151
N-(3,4-difluorophenyl)-3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 53093256
N-(2-fluorophenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 53030469
ethyl 3-[3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]benzoate
CID 20863765

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide (CID 53093229) is N-(2,5-dimethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide is COc1ccccc1-c1cc2n(C)c(C)c(CCC(=O)Nc3cc(C)ccc3C)c(=O)n2n1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The InChIKey is VTSPTXJGFNHGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-16-10-11-17(2)21(14-16)27-24(31)13-12-19-18(3)29(4)25-15-22(28-30(25)26(19)32)20-8-6-7-9-23(20)33-5/h6-11,14-15H,12-13H2,1-5H3,(H,27,31).
What are the key properties of N-(2,5-dimethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
N-(2,5-dimethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide has a molecular weight of 444.54 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 53093229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).