5,7-dimethyl-6-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one

C19H22N6O4S — CID 56531837

IUPAC5,7-dimethyl-6-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C19H22N6O4S/c1-13-16(14(2)25-17(21-13)11-18(26)22-25)10-19(27)23-6-8-24(9-7-23)30(28,29)15-4-3-5-20-12-15/h3-5,11-12H,6-10H2,1-2H3,(H,22,26)
InChIKeyFTTULEBMXFKKPY-UHFFFAOYSA-N
MW430.49 g/mol
LogP0.11
Rot. Bonds4

About 5,7-dimethyl-6-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one

5,7-dimethyl-6-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one (PubChem CID 56531837) has the molecular formula C19H22N6O4S and a molecular weight of 430.49 g/mol. Its IUPAC name is 5,7-dimethyl-6-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one.

Molecular Properties

Compound Name5,7-dimethyl-6-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one
PubChem CID56531837
Molecular FormulaC19H22N6O4S
Molecular Weight430.49 g/mol
Exact Mass430.14
IUPAC Name5,7-dimethyl-6-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C19H22N6O4S/c1-13-16(14(2)25-17(21-13)11-18(26)22-25)10-19(27)23-6-8-24(9-7-23)30(28,29)15-4-3-5-20-12-15/h3-5,11-12H,6-10H2,1-2H3,(H,22,26)
InChIKeyFTTULEBMXFKKPY-UHFFFAOYSA-N
XLogP0.11
TPSA120.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
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2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The IUPAC name of 5,7-dimethyl-6-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one (CID 56531837) is 5,7-dimethyl-6-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one.
What is the SMILES notation for 5,7-dimethyl-6-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The canonical SMILES for 5,7-dimethyl-6-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one is Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of 5,7-dimethyl-6-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The InChIKey is FTTULEBMXFKKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4S/c1-13-16(14(2)25-17(21-13)11-18(26)22-25)10-19(27)23-6-8-24(9-7-23)30(28,29)15-4-3-5-20-12-15/h3-5,11-12H,6-10H2,1-2H3,(H,22,26).
What are the key properties of 5,7-dimethyl-6-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one?
5,7-dimethyl-6-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one has a molecular weight of 430.49 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one is sourced from PubChem (CID 56531837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).