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

C26H28N4O3 — CID 53093243

IUPACN-(2,4-dimethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCOc1cccc(-c2cc3n(C)c(C)c(CCC(=O)Nc4ccc(C)cc4C)c(=O)n3n2)c1
InChIInChI=1S/C26H28N4O3/c1-16-9-11-22(17(2)13-16)27-24(31)12-10-21-18(3)29(4)25-15-23(28-30(25)26(21)32)19-7-6-8-20(14-19)33-5/h6-9,11,13-15H,10,12H2,1-5H3,(H,27,31)
InChIKeyBBQCWIIMSVIUHO-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.21
Rot. Bonds6

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

N-(2,4-dimethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide (PubChem CID 53093243) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
PubChem CID53093243
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-(2,4-dimethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCOc1cccc(-c2cc3n(C)c(C)c(CCC(=O)Nc4ccc(C)cc4C)c(=O)n3n2)c1
InChIInChI=1S/C26H28N4O3/c1-16-9-11-22(17(2)13-16)27-24(31)12-10-21-18(3)29(4)25-15-23(28-30(25)26(21)32)19-7-6-8-20(14-19)33-5/h6-9,11,13-15H,10,12H2,1-5H3,(H,27,31)
InChIKeyBBQCWIIMSVIUHO-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-fluorophenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 53030469
N-(3-ethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 53093240
3-[2-(3,4-dimethoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(2,5-dimethylphenyl)propanamide
CID 53093282
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-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-phenylpropyl)propanamide
CID 53030478
N-(2,5-dimethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 53093229
N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 53030487
N-(2,4-dimethylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885266
3-[4,5-dimethyl-7-oxo-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-fluorophenyl)propanamide
CID 53030585
N-(2,4-dimethylphenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334933
N-(3,4-difluorophenyl)-3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 53093256
N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040719

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide (CID 53093243) is N-(2,4-dimethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide is COc1cccc(-c2cc3n(C)c(C)c(CCC(=O)Nc4ccc(C)cc4C)c(=O)n3n2)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The InChIKey is BBQCWIIMSVIUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-16-9-11-22(17(2)13-16)27-24(31)12-10-21-18(3)29(4)25-15-23(28-30(25)26(21)32)19-7-6-8-20(14-19)33-5/h6-9,11,13-15H,10,12H2,1-5H3,(H,27,31).
What are the key properties of N-(2,4-dimethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
N-(2,4-dimethylphenyl)-3-[2-(3-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-(2,4-dimethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 53093243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).