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

C19H23N5O4S — CID 56546363

IUPAC2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H23N5O4S/c1-12-16(13(2)24-17(21-12)10-19(26)22-24)9-18(25)20-11-14-5-7-15(8-6-14)29(27,28)23(3)4/h5-8,10H,9,11H2,1-4H3,(H,20,25)(H,22,26)
InChIKeyOIWKISVTVQBDTD-UHFFFAOYSA-N
MW417.49 g/mol
LogP0.75
Rot. Bonds6

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

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide (PubChem CID 56546363) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
PubChem CID56546363
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H23N5O4S/c1-12-16(13(2)24-17(21-12)10-19(26)22-24)9-18(25)20-11-14-5-7-15(8-6-14)29(27,28)23(3)4/h5-8,10H,9,11H2,1-4H3,(H,20,25)(H,22,26)
InChIKeyOIWKISVTVQBDTD-UHFFFAOYSA-N
XLogP0.75
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide (CID 56546363) is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide is Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The InChIKey is OIWKISVTVQBDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-12-16(13(2)24-17(21-12)10-19(26)22-24)9-18(25)20-11-14-5-7-15(8-6-14)29(27,28)23(3)4/h5-8,10H,9,11H2,1-4H3,(H,20,25)(H,22,26).
What are the key properties of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide?
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide has a molecular weight of 417.49 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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-(dimethylsulfamoyl)phenyl]methyl]acetamide is sourced from PubChem (CID 56546363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).