2-ethyl-4-(methoxymethyl)-6-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine

C17H23N3O3S — CID 118739003

IUPAC2-ethyl-4-(methoxymethyl)-6-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCCn1cc2c(n1)CN(S(=O)(=O)c1ccc(C)cc1)CC2COC
InChIInChI=1S/C17H23N3O3S/c1-4-19-10-16-14(12-23-3)9-20(11-17(16)18-19)24(21,22)15-7-5-13(2)6-8-15/h5-8,10,14H,4,9,11-12H2,1-3H3
InChIKeyVZNWEASERLYYKZ-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.15
Rot. Bonds5

About 2-ethyl-4-(methoxymethyl)-6-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine

2-ethyl-4-(methoxymethyl)-6-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (PubChem CID 118739003) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-ethyl-4-(methoxymethyl)-6-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name2-ethyl-4-(methoxymethyl)-6-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
PubChem CID118739003
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name2-ethyl-4-(methoxymethyl)-6-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCCn1cc2c(n1)CN(S(=O)(=O)c1ccc(C)cc1)CC2COC
InChIInChI=1S/C17H23N3O3S/c1-4-19-10-16-14(12-23-3)9-20(11-17(16)18-19)24(21,22)15-7-5-13(2)6-8-15/h5-8,10,14H,4,9,11-12H2,1-3H3
InChIKeyVZNWEASERLYYKZ-UHFFFAOYSA-N
XLogP2.15
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-4-(methoxymethyl)-6-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine 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 2-ethyl-4-(methoxymethyl)-6-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 2-ethyl-4-(methoxymethyl)-6-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (CID 118739003) is 2-ethyl-4-(methoxymethyl)-6-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 2-ethyl-4-(methoxymethyl)-6-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 2-ethyl-4-(methoxymethyl)-6-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is CCn1cc2c(n1)CN(S(=O)(=O)c1ccc(C)cc1)CC2COC.
What is the InChIKey of 2-ethyl-4-(methoxymethyl)-6-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The InChIKey is VZNWEASERLYYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-4-19-10-16-14(12-23-3)9-20(11-17(16)18-19)24(21,22)15-7-5-13(2)6-8-15/h5-8,10,14H,4,9,11-12H2,1-3H3.
What are the key properties of 2-ethyl-4-(methoxymethyl)-6-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
2-ethyl-4-(methoxymethyl)-6-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine has a molecular weight of 349.46 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(methoxymethyl)-6-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 118739003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).