2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide

C22H26N6O4 — CID 56531857

IUPAC2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C22H26N6O4/c1-14-18(15(2)28-19(23-14)12-21(30)26-28)11-20(29)24-16-3-5-17(6-4-16)25-22(31)13-27-7-9-32-10-8-27/h3-6,12H,7-11,13H2,1-2H3,(H,24,29)(H,25,31)(H,26,30)
InChIKeyAGXJPJCNODVEDJ-UHFFFAOYSA-N
MW438.49 g/mol
LogP1.09
Rot. Bonds6

About 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide (PubChem CID 56531857) has the molecular formula C22H26N6O4 and a molecular weight of 438.49 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
PubChem CID56531857
Molecular FormulaC22H26N6O4
Molecular Weight438.49 g/mol
Exact Mass438.20
IUPAC Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C22H26N6O4/c1-14-18(15(2)28-19(23-14)12-21(30)26-28)11-20(29)24-16-3-5-17(6-4-16)25-22(31)13-27-7-9-32-10-8-27/h3-6,12H,7-11,13H2,1-2H3,(H,24,29)(H,25,31)(H,26,30)
InChIKeyAGXJPJCNODVEDJ-UHFFFAOYSA-N
XLogP1.09
TPSA120.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]acetamide
CID 56545162
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 56549830
N-(4-cyclopentylsulfanylphenyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 56540542
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 56531921
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 56531916
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 135883436
2-(2-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327232
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 56531612
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide
CID 56576578
3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 37154032
2-morpholin-4-yl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 4975216

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide?
The IUPAC name of 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) is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide is Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1.
What is the InChIKey of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide?
The InChIKey is AGXJPJCNODVEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4/c1-14-18(15(2)28-19(23-14)12-21(30)26-28)11-20(29)24-16-3-5-17(6-4-16)25-22(31)13-27-7-9-32-10-8-27/h3-6,12H,7-11,13H2,1-2H3,(H,24,29)(H,25,31)(H,26,30).
What are the key properties of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide?
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide has a molecular weight of 438.49 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 7 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-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide is sourced from PubChem (CID 56531857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).