6-(benzenesulfonyl)-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

C18H24N4O4S — CID 67376507

IUPAC6-(benzenesulfonyl)-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESO=c1c2c([nH]n1CCN1CCOCC1)CN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C18H24N4O4S/c23-18-16-6-7-21(27(24,25)15-4-2-1-3-5-15)14-17(16)19-22(18)9-8-20-10-12-26-13-11-20/h1-5,19H,6-14H2
InChIKeyHZKCTAWNCVLYMO-UHFFFAOYSA-N
MW392.48 g/mol
LogP0.26
Rot. Bonds5

About 6-(benzenesulfonyl)-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

6-(benzenesulfonyl)-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 67376507) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-(benzenesulfonyl)-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID67376507
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name6-(benzenesulfonyl)-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESO=c1c2c([nH]n1CCN1CCOCC1)CN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C18H24N4O4S/c23-18-16-6-7-21(27(24,25)15-4-2-1-3-5-15)14-17(16)19-22(18)9-8-20-10-12-26-13-11-20/h1-5,19H,6-14H2
InChIKeyHZKCTAWNCVLYMO-UHFFFAOYSA-N
XLogP0.26
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(benzenesulfonyl)-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one with MolForge

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Related Compounds

6-(4-Methylphenyl)sulfonyl-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67375993
6-(4-Methylphenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67376155
6-(4-Chlorophenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67376253
2-[2-(Dimethylamino)ethyl]-6-(4-methylphenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 69934526
2-[2-(2-Hydroxyethylamino)ethyl]-6-(4-methylphenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 123838636
6-(benzenesulfonyl)-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
CID 108480696

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-(benzenesulfonyl)-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 67376507) is 6-(benzenesulfonyl)-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-(benzenesulfonyl)-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-(benzenesulfonyl)-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is O=c1c2c([nH]n1CCN1CCOCC1)CN(S(=O)(=O)c1ccccc1)CC2.
What is the InChIKey of 6-(benzenesulfonyl)-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is HZKCTAWNCVLYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c23-18-16-6-7-21(27(24,25)15-4-2-1-3-5-15)14-17(16)19-22(18)9-8-20-10-12-26-13-11-20/h1-5,19H,6-14H2.
What are the key properties of 6-(benzenesulfonyl)-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
6-(benzenesulfonyl)-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 392.48 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 67376507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).