2-benzyl-6-(3-fluorophenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

C19H18FN3O3S — CID 67376950

IUPAC2-benzyl-6-(3-fluorophenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESO=c1c2c([nH]n1Cc1ccccc1)CN(S(=O)(=O)c1cccc(F)c1)CC2
InChIInChI=1S/C19H18FN3O3S/c20-15-7-4-8-16(11-15)27(25,26)22-10-9-17-18(13-22)21-23(19(17)24)12-14-5-2-1-3-6-14/h1-8,11,21H,9-10,12-13H2
InChIKeyUTVHZEPXLBLCGT-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.11
Rot. Bonds4

About 2-benzyl-6-(3-fluorophenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

2-benzyl-6-(3-fluorophenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 67376950) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-benzyl-6-(3-fluorophenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-benzyl-6-(3-fluorophenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID67376950
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name2-benzyl-6-(3-fluorophenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESO=c1c2c([nH]n1Cc1ccccc1)CN(S(=O)(=O)c1cccc(F)c1)CC2
InChIInChI=1S/C19H18FN3O3S/c20-15-7-4-8-16(11-15)27(25,26)22-10-9-17-18(13-22)21-23(19(17)24)12-14-5-2-1-3-6-14/h1-8,11,21H,9-10,12-13H2
InChIKeyUTVHZEPXLBLCGT-UHFFFAOYSA-N
XLogP2.11
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3,5-difluorophenyl)sulfonyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
CID 53183899
2-Benzyl-6-(4-fluorophenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67376012
N-[4,5-dichloro-1-[(3,4-difluorophenyl)methyl]-3-oxo-2,4-dihydroindazol-5-yl]-N-fluorobenzenesulfonamide
CID 91381207
2-benzyl-6-(3-fluorophenyl)sulfonyl-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
CID 141302950
2-benzyl-6-(4-fluorophenyl)sulfonyl-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
CID 141302971
6-(4-fluorophenyl)sulfonyl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
CID 108481075
2-benzyl-N-hydroxy-5-(4-methylphenyl)sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
CID 10433459
2-Benzyl-6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67371971
2-Benzyl-6-(4-methylphenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67372590
3-[(2-Benzyl-3-oxo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)sulfonyl]benzonitrile
CID 67372797
2-Benzyl-6-[(4-methylsulfonylphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67372820
2,6-Dibenzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67373232

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(3-fluorophenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-benzyl-6-(3-fluorophenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 67376950) is 2-benzyl-6-(3-fluorophenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-benzyl-6-(3-fluorophenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-benzyl-6-(3-fluorophenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is O=c1c2c([nH]n1Cc1ccccc1)CN(S(=O)(=O)c1cccc(F)c1)CC2.
What is the InChIKey of 2-benzyl-6-(3-fluorophenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is UTVHZEPXLBLCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c20-15-7-4-8-16(11-15)27(25,26)22-10-9-17-18(13-22)21-23(19(17)24)12-14-5-2-1-3-6-14/h1-8,11,21H,9-10,12-13H2.
What are the key properties of 2-benzyl-6-(3-fluorophenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
2-benzyl-6-(3-fluorophenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 387.44 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(3-fluorophenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 67376950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).