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

C18H23ClN4O4S — CID 67376253

IUPAC6-(4-chlorophenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESO=c1c2c([nH]n1CCN1CCOCC1)CN(S(=O)(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C18H23ClN4O4S/c19-14-1-3-15(4-2-14)28(25,26)22-6-5-16-17(13-22)20-23(18(16)24)8-7-21-9-11-27-12-10-21/h1-4,20H,5-13H2
InChIKeyIBOQEJIVQAOJAO-UHFFFAOYSA-N
MW426.93 g/mol
LogP0.91
Rot. Bonds5

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

6-(4-chlorophenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 67376253) has the molecular formula C18H23ClN4O4S and a molecular weight of 426.93 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID67376253
Molecular FormulaC18H23ClN4O4S
Molecular Weight426.93 g/mol
Exact Mass426.11
IUPAC Name6-(4-chlorophenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESO=c1c2c([nH]n1CCN1CCOCC1)CN(S(=O)(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C18H23ClN4O4S/c19-14-1-3-15(4-2-14)28(25,26)22-6-5-16-17(13-22)20-23(18(16)24)8-7-21-9-11-27-12-10-21/h1-4,20H,5-13H2
InChIKeyIBOQEJIVQAOJAO-UHFFFAOYSA-N
XLogP0.91
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-(4-chlorophenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 67376253) is 6-(4-chlorophenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)sulfonyl-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)c1ccc(Cl)cc1)CC2.
What is the InChIKey of 6-(4-chlorophenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is IBOQEJIVQAOJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O4S/c19-14-1-3-15(4-2-14)28(25,26)22-6-5-16-17(13-22)20-23(18(16)24)8-7-21-9-11-27-12-10-21/h1-4,20H,5-13H2.
What are the key properties of 6-(4-chlorophenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
6-(4-chlorophenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 426.93 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 67376253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).