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

C22H21N5O3S — CID 50834182

IUPAC5-[1-methyl-5-(2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccccc1S(=O)(=O)N1CCc2c(c(-c3nc(-c4ccccc4)no3)nn2C)C1
InChIInChI=1S/C22H21N5O3S/c1-15-8-6-7-11-19(15)31(28,29)27-13-12-18-17(14-27)20(24-26(18)2)22-23-21(25-30-22)16-9-4-3-5-10-16/h3-11H,12-14H2,1-2H3
InChIKeyGRRGDMQSHWKHQD-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.19
Rot. Bonds4

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

5-[1-methyl-5-(2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 50834182) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is 5-[1-methyl-5-(2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-methyl-5-(2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID50834182
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC Name5-[1-methyl-5-(2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccccc1S(=O)(=O)N1CCc2c(c(-c3nc(-c4ccccc4)no3)nn2C)C1
InChIInChI=1S/C22H21N5O3S/c1-15-8-6-7-11-19(15)31(28,29)27-13-12-18-17(14-27)20(24-26(18)2)22-23-21(25-30-22)16-9-4-3-5-10-16/h3-11H,12-14H2,1-2H3
InChIKeyGRRGDMQSHWKHQD-UHFFFAOYSA-N
XLogP3.19
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
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
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
[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-4-ylmethanone
CID 53018752
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
(3-chlorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 53018490
[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone
CID 53018608
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
1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
CID 83275732
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylphenyl)methanone
CID 53018570
2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole
CID 146067023

Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-5-(2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 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) is 5-[1-methyl-5-(2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-methyl-5-(2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-methyl-5-(2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole is Cc1ccccc1S(=O)(=O)N1CCc2c(c(-c3nc(-c4ccccc4)no3)nn2C)C1.
What is the InChIKey of 5-[1-methyl-5-(2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is GRRGDMQSHWKHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-15-8-6-7-11-19(15)31(28,29)27-13-12-18-17(14-27)20(24-26(18)2)22-23-21(25-30-22)16-9-4-3-5-10-16/h3-11H,12-14H2,1-2H3.
What are the key properties of 5-[1-methyl-5-(2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole?
5-[1-methyl-5-(2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 435.51 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-5-(2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 50834182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).