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

C21H25N5O4S — CID 56531563

IUPAC2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H25N5O4S/c1-14-18(15(2)26-19(22-14)13-21(28)24-26)12-20(27)23-16-6-8-17(9-7-16)31(29,30)25-10-4-3-5-11-25/h6-9,13H,3-5,10-12H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyBFBWNBQXGOTDBU-UHFFFAOYSA-N
MW443.53 g/mol
LogP2.00
Rot. Bonds5

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

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 56531563) has the molecular formula C21H25N5O4S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID56531563
Molecular FormulaC21H25N5O4S
Molecular Weight443.53 g/mol
Exact Mass443.16
IUPAC Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H25N5O4S/c1-14-18(15(2)26-19(22-14)13-21(28)24-26)12-20(27)23-16-6-8-17(9-7-16)31(29,30)25-10-4-3-5-11-25/h6-9,13H,3-5,10-12H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyBFBWNBQXGOTDBU-UHFFFAOYSA-N
XLogP2.00
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.00
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-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 56531563) is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is BFBWNBQXGOTDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S/c1-14-18(15(2)26-19(22-14)13-21(28)24-26)12-20(27)23-16-6-8-17(9-7-16)31(29,30)25-10-4-3-5-11-25/h6-9,13H,3-5,10-12H2,1-2H3,(H,23,27)(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-piperidin-1-ylsulfonylphenyl)acetamide?
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 443.53 g/mol, XLogP of 2.00, 5 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-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 56531563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).