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

C18H21N5O3S — CID 53018908

IUPAC5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2nn(C)c3c2CN(S(=O)(=O)c2ccc(C)c(C)c2)CC3)n1
InChIInChI=1S/C18H21N5O3S/c1-11-5-6-14(9-12(11)2)27(24,25)23-8-7-16-15(10-23)17(20-22(16)4)18-19-13(3)21-26-18/h5-6,9H,7-8,10H2,1-4H3
InChIKeySAQKIPNRJVHOOM-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.14
Rot. Bonds3

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

5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 53018908) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 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-methyl-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-methyl-1,2,4-oxadiazole
PubChem CID53018908
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2nn(C)c3c2CN(S(=O)(=O)c2ccc(C)c(C)c2)CC3)n1
InChIInChI=1S/C18H21N5O3S/c1-11-5-6-14(9-12(11)2)27(24,25)23-8-7-16-15(10-23)17(20-22(16)4)18-19-13(3)21-26-18/h5-6,9H,7-8,10H2,1-4H3
InChIKeySAQKIPNRJVHOOM-UHFFFAOYSA-N
XLogP2.14
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

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-methyl-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-methyl-1,2,4-oxadiazole (CID 53018908) is 5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-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-methyl-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-methyl-1,2,4-oxadiazole is Cc1noc(-c2nn(C)c3c2CN(S(=O)(=O)c2ccc(C)c(C)c2)CC3)n1.
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-methyl-1,2,4-oxadiazole?
The InChIKey is SAQKIPNRJVHOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-11-5-6-14(9-12(11)2)27(24,25)23-8-7-16-15(10-23)17(20-22(16)4)18-19-13(3)21-26-18/h5-6,9H,7-8,10H2,1-4H3.
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-methyl-1,2,4-oxadiazole?
5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 387.47 g/mol, XLogP of 2.14, 3 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-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 53018908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).