5-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C16H20FN3O3S — CID 71819806

IUPAC5-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCOCc1nn(C)c2c1CN(S(=O)(=O)Cc1cccc(F)c1)CC2
InChIInChI=1S/C16H20FN3O3S/c1-19-16-6-7-20(9-14(16)15(18-19)10-23-2)24(21,22)11-12-4-3-5-13(17)8-12/h3-5,8H,6-7,9-11H2,1-2H3
InChIKeyJKJSRJKVYKEPGG-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.59
Rot. Bonds5

About 5-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

5-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 71819806) has the molecular formula C16H20FN3O3S and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID71819806
Molecular FormulaC16H20FN3O3S
Molecular Weight353.42 g/mol
Exact Mass353.12
IUPAC Name5-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCOCc1nn(C)c2c1CN(S(=O)(=O)Cc1cccc(F)c1)CC2
InChIInChI=1S/C16H20FN3O3S/c1-19-16-6-7-20(9-14(16)15(18-19)10-23-2)24(21,22)11-12-4-3-5-13(17)8-12/h3-5,8H,6-7,9-11H2,1-2H3
InChIKeyJKJSRJKVYKEPGG-UHFFFAOYSA-N
XLogP1.59
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 71819806) is 5-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is COCc1nn(C)c2c1CN(S(=O)(=O)Cc1cccc(F)c1)CC2.
What is the InChIKey of 5-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is JKJSRJKVYKEPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3S/c1-19-16-6-7-20(9-14(16)15(18-19)10-23-2)24(21,22)11-12-4-3-5-13(17)8-12/h3-5,8H,6-7,9-11H2,1-2H3.
What are the key properties of 5-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 353.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 71819806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).