2-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole

C23H22FN5O3S — CID 53019101

IUPAC2-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)N2CCc3c(c(-c4nnc(-c5ccccc5F)o4)nn3C)C2)cc1C
InChIInChI=1S/C23H22FN5O3S/c1-14-8-9-16(12-15(14)2)33(30,31)29-11-10-20-18(13-29)21(27-28(20)3)23-26-25-22(32-23)17-6-4-5-7-19(17)24/h4-9,12H,10-11,13H2,1-3H3
InChIKeyZAEHOUGDDLLNEM-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.64
Rot. Bonds4

About 2-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole

2-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 53019101) has the molecular formula C23H22FN5O3S and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
PubChem CID53019101
Molecular FormulaC23H22FN5O3S
Molecular Weight467.53 g/mol
Exact Mass467.14
IUPAC Name2-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)N2CCc3c(c(-c4nnc(-c5ccccc5F)o4)nn3C)C2)cc1C
InChIInChI=1S/C23H22FN5O3S/c1-14-8-9-16(12-15(14)2)33(30,31)29-11-10-20-18(13-29)21(27-28(20)3)23-26-25-22(32-23)17-6-4-5-7-19(17)24/h4-9,12H,10-11,13H2,1-3H3
InChIKeyZAEHOUGDDLLNEM-UHFFFAOYSA-N
XLogP3.64
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-fluorophenyl)-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole
CID 53019085
2-[5-(4-tert-butylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 53019091
2-(2-fluorophenyl)-5-[1-methyl-5-(4-propylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole
CID 53019077
2-[5-(5-chlorothiophen-2-yl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 53019099
2-[5-(3,5-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 53019073
2-[1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 53019126
1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 50834076
5-[5-(3-chloro-4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 50833812
2-[1-methyl-5-[4-(2-methylpropyl)phenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 53019060
3-methyl-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole
CID 53018904
3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-5-(4-fluoro-3-methylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 50834821
2-(4-methylphenyl)-5-[1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole
CID 53019058

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole (CID 53019101) is 2-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole is Cc1ccc(S(=O)(=O)N2CCc3c(c(-c4nnc(-c5ccccc5F)o4)nn3C)C2)cc1C.
What is the InChIKey of 2-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is ZAEHOUGDDLLNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3S/c1-14-8-9-16(12-15(14)2)33(30,31)29-11-10-20-18(13-29)21(27-28(20)3)23-26-25-22(32-23)17-6-4-5-7-19(17)24/h4-9,12H,10-11,13H2,1-3H3.
What are the key properties of 2-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
2-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 467.53 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 53019101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).