1-[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-methoxyethanone

C15H22N6O2S — CID 53019488

IUPAC1-[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-methoxyethanone
SMILESCCSc1nnc(-c2nn(C)c3c2CN(C(=O)COC)CC3)n1C
InChIInChI=1S/C15H22N6O2S/c1-5-24-15-17-16-14(19(15)2)13-10-8-21(12(22)9-23-4)7-6-11(10)20(3)18-13/h5-9H2,1-4H3
InChIKeyKNBOGVGLTOGANL-UHFFFAOYSA-N
MW350.45 g/mol
LogP0.86
Rot. Bonds5

About 1-[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-methoxyethanone

1-[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-methoxyethanone (PubChem CID 53019488) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is 1-[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-methoxyethanone.

Molecular Properties

Compound Name1-[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-methoxyethanone
PubChem CID53019488
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name1-[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-methoxyethanone
SMILESCCSc1nnc(-c2nn(C)c3c2CN(C(=O)COC)CC3)n1C
InChIInChI=1S/C15H22N6O2S/c1-5-24-15-17-16-14(19(15)2)13-10-8-21(12(22)9-23-4)7-6-11(10)20(3)18-13/h5-9H2,1-4H3
InChIKeyKNBOGVGLTOGANL-UHFFFAOYSA-N
XLogP0.86
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[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-methoxyethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[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-methoxyethanone?
The IUPAC name of 1-[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-methoxyethanone (CID 53019488) is 1-[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-methoxyethanone.
What is the SMILES notation for 1-[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-methoxyethanone?
The canonical SMILES for 1-[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-methoxyethanone is CCSc1nnc(-c2nn(C)c3c2CN(C(=O)COC)CC3)n1C.
What is the InChIKey of 1-[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-methoxyethanone?
The InChIKey is KNBOGVGLTOGANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-5-24-15-17-16-14(19(15)2)13-10-8-21(12(22)9-23-4)7-6-11(10)20(3)18-13/h5-9H2,1-4H3.
What are the key properties of 1-[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-methoxyethanone?
1-[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-methoxyethanone has a molecular weight of 350.45 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[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-methoxyethanone is sourced from PubChem (CID 53019488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).