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

C22H23F2N3O3S — CID 53018477

IUPAC3-[(3-fluorophenyl)methoxymethyl]-5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCn1nc(COCc2cccc(F)c2)c2c1CCN(S(=O)(=O)Cc1cccc(F)c1)C2
InChIInChI=1S/C22H23F2N3O3S/c1-26-22-8-9-27(31(28,29)15-17-5-3-7-19(24)11-17)12-20(22)21(25-26)14-30-13-16-4-2-6-18(23)10-16/h2-7,10-11H,8-9,12-15H2,1H3
InChIKeyUEUJDOYIXNJVLJ-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.30
Rot. Bonds7

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

3-[(3-fluorophenyl)methoxymethyl]-5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 53018477) has the molecular formula C22H23F2N3O3S and a molecular weight of 447.51 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methoxymethyl]-5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methoxymethyl]-5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID53018477
Molecular FormulaC22H23F2N3O3S
Molecular Weight447.51 g/mol
Exact Mass447.14
IUPAC Name3-[(3-fluorophenyl)methoxymethyl]-5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCn1nc(COCc2cccc(F)c2)c2c1CCN(S(=O)(=O)Cc1cccc(F)c1)C2
InChIInChI=1S/C22H23F2N3O3S/c1-26-22-8-9-27(31(28,29)15-17-5-3-7-19(24)11-17)12-20(22)21(25-26)14-30-13-16-4-2-6-18(23)10-16/h2-7,10-11H,8-9,12-15H2,1H3
InChIKeyUEUJDOYIXNJVLJ-UHFFFAOYSA-N
XLogP3.30
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methoxymethyl]-5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-[(3-fluorophenyl)methoxymethyl]-5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 53018477) is 3-[(3-fluorophenyl)methoxymethyl]-5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-[(3-fluorophenyl)methoxymethyl]-5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-[(3-fluorophenyl)methoxymethyl]-5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is Cn1nc(COCc2cccc(F)c2)c2c1CCN(S(=O)(=O)Cc1cccc(F)c1)C2.
What is the InChIKey of 3-[(3-fluorophenyl)methoxymethyl]-5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is UEUJDOYIXNJVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O3S/c1-26-22-8-9-27(31(28,29)15-17-5-3-7-19(24)11-17)12-20(22)21(25-26)14-30-13-16-4-2-6-18(23)10-16/h2-7,10-11H,8-9,12-15H2,1H3.
What are the key properties of 3-[(3-fluorophenyl)methoxymethyl]-5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
3-[(3-fluorophenyl)methoxymethyl]-5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 447.51 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methoxymethyl]-5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 53018477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).