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

C23H23N5O3S — CID 50833843

IUPAC5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)N2CCc3c(c(-c4nc(-c5ccccc5)no4)nn3C)C2)cc1C
InChIInChI=1S/C23H23N5O3S/c1-15-9-10-18(13-16(15)2)32(29,30)28-12-11-20-19(14-28)21(25-27(20)3)23-24-22(26-31-23)17-7-5-4-6-8-17/h4-10,13H,11-12,14H2,1-3H3
InChIKeyZYUGBTWHNWKNTN-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.50
Rot. Bonds4

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

5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 50833843) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID50833843
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC Name5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)N2CCc3c(c(-c4nc(-c5ccccc5)no4)nn3C)C2)cc1C
InChIInChI=1S/C23H23N5O3S/c1-15-9-10-18(13-16(15)2)32(29,30)28-12-11-20-19(14-28)21(25-27(20)3)23-24-22(26-31-23)17-7-5-4-6-8-17/h4-10,13H,11-12,14H2,1-3H3
InChIKeyZYUGBTWHNWKNTN-UHFFFAOYSA-N
XLogP3.50
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole (CID 50833843) is 5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole is Cc1ccc(S(=O)(=O)N2CCc3c(c(-c4nc(-c5ccccc5)no4)nn3C)C2)cc1C.
What is the InChIKey of 5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is ZYUGBTWHNWKNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-15-9-10-18(13-16(15)2)32(29,30)28-12-11-20-19(14-28)21(25-27(20)3)23-24-22(26-31-23)17-7-5-4-6-8-17/h4-10,13H,11-12,14H2,1-3H3.
What are the key properties of 5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole?
5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 449.54 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 50833843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).