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

C21H27N5O4S — CID 56552594

IUPAC2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C21H27N5O4S/c1-13(2)25(5)31(29,30)17-8-6-16(7-9-17)12-22-20(27)10-18-14(3)23-19-11-21(28)24-26(19)15(18)4/h6-9,11,13H,10,12H2,1-5H3,(H,22,27)(H,24,28)
InChIKeyVURLUSZWMGVFGD-UHFFFAOYSA-N
MW445.55 g/mol
LogP1.53
Rot. Bonds7

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

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide (PubChem CID 56552594) has the molecular formula C21H27N5O4S and a molecular weight of 445.55 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide
PubChem CID56552594
Molecular FormulaC21H27N5O4S
Molecular Weight445.55 g/mol
Exact Mass445.18
IUPAC Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C21H27N5O4S/c1-13(2)25(5)31(29,30)17-8-6-16(7-9-17)12-22-20(27)10-18-14(3)23-19-11-21(28)24-26(19)15(18)4/h6-9,11,13H,10,12H2,1-5H3,(H,22,27)(H,24,28)
InChIKeyVURLUSZWMGVFGD-UHFFFAOYSA-N
XLogP1.53
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 51.53
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-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide (CID 56552594) is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]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-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide is Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1.
What is the InChIKey of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide?
The InChIKey is VURLUSZWMGVFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4S/c1-13(2)25(5)31(29,30)17-8-6-16(7-9-17)12-22-20(27)10-18-14(3)23-19-11-21(28)24-26(19)15(18)4/h6-9,11,13H,10,12H2,1-5H3,(H,22,27)(H,24,28).
What are the key properties of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide?
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide has a molecular weight of 445.55 g/mol, XLogP of 1.53, 7 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-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide is sourced from PubChem (CID 56552594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).