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

C17H23N3O3S — CID 118738996

IUPAC6-benzylsulfonyl-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCCn1cc2c(n1)CN(S(=O)(=O)Cc1ccccc1)CC2COC
InChIInChI=1S/C17H23N3O3S/c1-3-19-10-16-15(12-23-2)9-20(11-17(16)18-19)24(21,22)13-14-7-5-4-6-8-14/h4-8,10,15H,3,9,11-13H2,1-2H3
InChIKeyBFOFPYXGKUKIRO-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.98
Rot. Bonds6

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

6-benzylsulfonyl-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (PubChem CID 118738996) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 6-benzylsulfonyl-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name6-benzylsulfonyl-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
PubChem CID118738996
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name6-benzylsulfonyl-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCCn1cc2c(n1)CN(S(=O)(=O)Cc1ccccc1)CC2COC
InChIInChI=1S/C17H23N3O3S/c1-3-19-10-16-15(12-23-2)9-20(11-17(16)18-19)24(21,22)13-14-7-5-4-6-8-14/h4-8,10,15H,3,9,11-13H2,1-2H3
InChIKeyBFOFPYXGKUKIRO-UHFFFAOYSA-N
XLogP1.98
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfonyl-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 6-benzylsulfonyl-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (CID 118738996) is 6-benzylsulfonyl-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 6-benzylsulfonyl-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 6-benzylsulfonyl-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is CCn1cc2c(n1)CN(S(=O)(=O)Cc1ccccc1)CC2COC.
What is the InChIKey of 6-benzylsulfonyl-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The InChIKey is BFOFPYXGKUKIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-3-19-10-16-15(12-23-2)9-20(11-17(16)18-19)24(21,22)13-14-7-5-4-6-8-14/h4-8,10,15H,3,9,11-13H2,1-2H3.
What are the key properties of 6-benzylsulfonyl-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
6-benzylsulfonyl-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine has a molecular weight of 349.46 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfonyl-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 118738996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).