2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

C22H27N5O3 — CID 56540702

IUPAC2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)c(C)c1
InChIInChI=1S/C22H27N5O3/c1-12-7-13(2)22(14(3)8-12)24-20(29)11-26(6)21(30)9-17-15(4)23-18-10-19(28)25-27(18)16(17)5/h7-8,10H,9,11H2,1-6H3,(H,24,29)(H,25,28)
InChIKeyRPOLLLAQJJEPJD-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.20
Rot. Bonds5

About 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (PubChem CID 56540702) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
PubChem CID56540702
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)c(C)c1
InChIInChI=1S/C22H27N5O3/c1-12-7-13(2)22(14(3)8-12)24-20(29)11-26(6)21(30)9-17-15(4)23-18-10-19(28)25-27(18)16(17)5/h7-8,10H,9,11H2,1-6H3,(H,24,29)(H,25,28)
InChIKeyRPOLLLAQJJEPJD-UHFFFAOYSA-N
XLogP2.20
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26788092
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide
CID 154803381
N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 112761999
dimethyl 5-[[2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 56531596
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 56531860
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 119291379
N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 8752580
(4-chloro-2-methylphenyl) 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate
CID 56531627
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 56531857
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56540885
2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7478627
N-(4-cyclopentylsulfanylphenyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 56540542

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (CID 56540702) is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)c(C)c1.
What is the InChIKey of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The InChIKey is RPOLLLAQJJEPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-12-7-13(2)22(14(3)8-12)24-20(29)11-26(6)21(30)9-17-15(4)23-18-10-19(28)25-27(18)16(17)5/h7-8,10H,9,11H2,1-6H3,(H,24,29)(H,25,28).
What are the key properties of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide has a molecular weight of 409.49 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is sourced from PubChem (CID 56540702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).