2-(4-methoxyphenyl)-N-[(1S)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide

C24H24N4O3 — CID 92555750

IUPAC2-(4-methoxyphenyl)-N-[(1S)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide
SMILESCOc1ccc(CC(=O)N[C@@H](Cc2cc(=O)n3[nH]c(C)cc3n2)c2ccccc2)cc1
InChIInChI=1S/C24H24N4O3/c1-16-12-22-25-19(15-24(30)28(22)27-16)14-21(18-6-4-3-5-7-18)26-23(29)13-17-8-10-20(31-2)11-9-17/h3-12,15,21,27H,13-14H2,1-2H3,(H,26,29)/t21-/m0/s1
InChIKeyHYJPDHOVKWXGBP-NRFANRHFSA-N
MW416.48 g/mol
LogP2.98
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[(1S)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide

2-(4-methoxyphenyl)-N-[(1S)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide (PubChem CID 92555750) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(1S)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(1S)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide
PubChem CID92555750
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name2-(4-methoxyphenyl)-N-[(1S)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide
SMILESCOc1ccc(CC(=O)N[C@@H](Cc2cc(=O)n3[nH]c(C)cc3n2)c2ccccc2)cc1
InChIInChI=1S/C24H24N4O3/c1-16-12-22-25-19(15-24(30)28(22)27-16)14-21(18-6-4-3-5-7-18)26-23(29)13-17-8-10-20(31-2)11-9-17/h3-12,15,21,27H,13-14H2,1-2H3,(H,26,29)/t21-/m0/s1
InChIKeyHYJPDHOVKWXGBP-NRFANRHFSA-N
XLogP2.98
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyphenyl)-N-[(1S)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide 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

2-(2-methoxyphenyl)-N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide
CID 92555757
N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 92555758
1,4,6-trimethyl-N-[2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-oxopyridine-3-carboxamide
CID 110224929
2-(3-methoxyphenyl)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide
CID 136816310
N-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide
CID 114300105
N-[2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 143753176
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465
N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 9451408
2-amino-N-[1-(4-methoxyphenyl)-2-phenylethyl]acetamide
CID 67761066
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8510915

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(1S)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(1S)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide (CID 92555750) is 2-(4-methoxyphenyl)-N-[(1S)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(1S)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(1S)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide is COc1ccc(CC(=O)N[C@@H](Cc2cc(=O)n3[nH]c(C)cc3n2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(1S)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide?
The InChIKey is HYJPDHOVKWXGBP-NRFANRHFSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-16-12-22-25-19(15-24(30)28(22)27-16)14-21(18-6-4-3-5-7-18)26-23(29)13-17-8-10-20(31-2)11-9-17/h3-12,15,21,27H,13-14H2,1-2H3,(H,26,29)/t21-/m0/s1.
What are the key properties of 2-(4-methoxyphenyl)-N-[(1S)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide?
2-(4-methoxyphenyl)-N-[(1S)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide has a molecular weight of 416.48 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(1S)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide is sourced from PubChem (CID 92555750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).