3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C23H30N6O2S2 — CID 50834676

IUPAC3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCSc1nnc(-c2nn(C)c3c2CN(S(=O)(=O)c2ccc4c(c2)CCCC4)CC3)n1CC
InChIInChI=1S/C23H30N6O2S2/c1-4-29-22(24-25-23(29)32-5-2)21-19-15-28(13-12-20(19)27(3)26-21)33(30,31)18-11-10-16-8-6-7-9-17(16)14-18/h10-11,14H,4-9,12-13,15H2,1-3H3
InChIKeyDTZMOSRDYFJSQF-UHFFFAOYSA-N
MW486.67 g/mol
LogP3.44
Rot. Bonds6

About 3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 50834676) has the molecular formula C23H30N6O2S2 and a molecular weight of 486.67 g/mol. Its IUPAC name is 3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID50834676
Molecular FormulaC23H30N6O2S2
Molecular Weight486.67 g/mol
Exact Mass486.19
IUPAC Name3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCSc1nnc(-c2nn(C)c3c2CN(S(=O)(=O)c2ccc4c(c2)CCCC4)CC3)n1CC
InChIInChI=1S/C23H30N6O2S2/c1-4-29-22(24-25-23(29)32-5-2)21-19-15-28(13-12-20(19)27(3)26-21)33(30,31)18-11-10-16-8-6-7-9-17(16)14-18/h10-11,14H,4-9,12-13,15H2,1-3H3
InChIKeyDTZMOSRDYFJSQF-UHFFFAOYSA-N
XLogP3.44
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.67
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine with MolForge

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Related Compounds

3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-5-(4-fluoro-3-methylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 50834821
3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 50834796
[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 53066740
(3-chlorophenyl)-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 83273712
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
(3,4-dimethoxyphenyl)-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 83273713
(5-bromofuran-2-yl)-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 53019475
4-[3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]benzonitrile
CID 53019555
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
[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-fluorophenyl)methanone
CID 83273718
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-bromophenyl)-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 53011849

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 50834676) is 3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCSc1nnc(-c2nn(C)c3c2CN(S(=O)(=O)c2ccc4c(c2)CCCC4)CC3)n1CC.
What is the InChIKey of 3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is DTZMOSRDYFJSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2S2/c1-4-29-22(24-25-23(29)32-5-2)21-19-15-28(13-12-20(19)27(3)26-21)33(30,31)18-11-10-16-8-6-7-9-17(16)14-18/h10-11,14H,4-9,12-13,15H2,1-3H3.
What are the key properties of 3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 486.67 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 50834676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).