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

C19H26N4O4S — CID 67376155

IUPAC6-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCc1ccc(S(=O)(=O)N2CCc3c([nH]n(CCN4CCOCC4)c3=O)C2)cc1
InChIInChI=1S/C19H26N4O4S/c1-15-2-4-16(5-3-15)28(25,26)22-7-6-17-18(14-22)20-23(19(17)24)9-8-21-10-12-27-13-11-21/h2-5,20H,6-14H2,1H3
InChIKeyNICRFHBPNIWTNX-UHFFFAOYSA-N
MW406.51 g/mol
LogP0.56
Rot. Bonds5

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

6-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 67376155) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 6-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID67376155
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name6-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCc1ccc(S(=O)(=O)N2CCc3c([nH]n(CCN4CCOCC4)c3=O)C2)cc1
InChIInChI=1S/C19H26N4O4S/c1-15-2-4-16(5-3-15)28(25,26)22-7-6-17-18(14-22)20-23(19(17)24)9-8-21-10-12-27-13-11-21/h2-5,20H,6-14H2,1H3
InChIKeyNICRFHBPNIWTNX-UHFFFAOYSA-N
XLogP0.56
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Benzyl-6-(4-methylphenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67372590
3-[6-(4-Methylphenyl)sulfonyl-3-oxo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl]propanenitrile
CID 67375527
6-(4-Methylphenyl)sulfonyl-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67375993
6-(4-Chlorophenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67376253
6-(Benzenesulfonyl)-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67376507
2-[2-(Dimethylamino)ethyl]-6-(4-methylphenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 69934526
2-(2-Aminoethyl)-6-(4-methylphenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 69934825
2-(1-Benzylpiperidin-4-yl)-6-(4-methylphenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 69934952
2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one
CID 118537941
2,4-dimethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one
CID 118538131
2-[2-(Methylamino)ethyl]-6-(4-methylphenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 123534684
2-[2-(2-Hydroxyethylamino)ethyl]-6-(4-methylphenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 123838636

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 67376155) is 6-(4-methylphenyl)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-methylphenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is Cc1ccc(S(=O)(=O)N2CCc3c([nH]n(CCN4CCOCC4)c3=O)C2)cc1.
What is the InChIKey of 6-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is NICRFHBPNIWTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-15-2-4-16(5-3-15)28(25,26)22-7-6-17-18(14-22)20-23(19(17)24)9-8-21-10-12-27-13-11-21/h2-5,20H,6-14H2,1H3.
What are the key properties of 6-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
6-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 406.51 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 67376155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).