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

C17H19N5O3S — CID 53018904

IUPAC3-methyl-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)N2CCc3c(c(-c4nc(C)no4)nn3C)C2)cc1
InChIInChI=1S/C17H19N5O3S/c1-11-4-6-13(7-5-11)26(23,24)22-9-8-15-14(10-22)16(19-21(15)3)17-18-12(2)20-25-17/h4-7H,8-10H2,1-3H3
InChIKeyFYOSKVNDBRMJGI-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.83
Rot. Bonds3

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

3-methyl-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole (PubChem CID 53018904) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 3-methyl-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole
PubChem CID53018904
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name3-methyl-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)N2CCc3c(c(-c4nc(C)no4)nn3C)C2)cc1
InChIInChI=1S/C17H19N5O3S/c1-11-4-6-13(7-5-11)26(23,24)22-9-8-15-14(10-22)16(19-21(15)3)17-18-12(2)20-25-17/h4-7H,8-10H2,1-3H3
InChIKeyFYOSKVNDBRMJGI-UHFFFAOYSA-N
XLogP1.83
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3-methyl-1,2,4-oxadiazole
CID 53018922
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-(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-[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
5-[1-methyl-5-(2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 50834182
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-(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
5-[5-(1H-imidazol-5-ylsulfonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 50834129
2-(4-fluorophenyl)-1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 53018514
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
methyl 2-[[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]benzoate
CID 46390885
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 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) is 3-methyl-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole is Cc1ccc(S(=O)(=O)N2CCc3c(c(-c4nc(C)no4)nn3C)C2)cc1.
What is the InChIKey of 3-methyl-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole?
The InChIKey is FYOSKVNDBRMJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-11-4-6-13(7-5-11)26(23,24)22-9-8-15-14(10-22)16(19-21(15)3)17-18-12(2)20-25-17/h4-7H,8-10H2,1-3H3.
What are the key properties of 3-methyl-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole?
3-methyl-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole has a molecular weight of 373.44 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 53018904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).