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

C24H25N5O3S — CID 53019073

IUPAC2-[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
SMILESCc1ccc(-c2nnc(-c3nn(C)c4c3CN(S(=O)(=O)c3cc(C)cc(C)c3)CC4)o2)cc1
InChIInChI=1S/C24H25N5O3S/c1-15-5-7-18(8-6-15)23-25-26-24(32-23)22-20-14-29(10-9-21(20)28(4)27-22)33(30,31)19-12-16(2)11-17(3)13-19/h5-8,11-13H,9-10,14H2,1-4H3
InChIKeyOTRQCQKJYQCOSB-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.81
Rot. Bonds4

About 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

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 (PubChem CID 53019073) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID53019073
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name2-[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
SMILESCc1ccc(-c2nnc(-c3nn(C)c4c3CN(S(=O)(=O)c3cc(C)cc(C)c3)CC4)o2)cc1
InChIInChI=1S/C24H25N5O3S/c1-15-5-7-18(8-6-15)23-25-26-24(32-23)22-20-14-29(10-9-21(20)28(4)27-22)33(30,31)19-12-16(2)11-17(3)13-19/h5-8,11-13H,9-10,14H2,1-4H3
InChIKeyOTRQCQKJYQCOSB-UHFFFAOYSA-N
XLogP3.81
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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
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
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
5-(3,5-dimethylphenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 50832796
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2nnc(-c3nn(C)c4c3CN(S(=O)(=O)c3cc(C)cc(C)c3)CC4)o2)cc1.
What is the InChIKey of 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?
The InChIKey is OTRQCQKJYQCOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-15-5-7-18(8-6-15)23-25-26-24(32-23)22-20-14-29(10-9-21(20)28(4)27-22)33(30,31)19-12-16(2)11-17(3)13-19/h5-8,11-13H,9-10,14H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 463.56 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 53019073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).