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

C23H26FN3O3S — CID 53018476

IUPAC3-[(3-fluorophenyl)methoxymethyl]-1-methyl-5-[(4-methylphenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1ccc(CS(=O)(=O)N2CCc3c(c(COCc4cccc(F)c4)nn3C)C2)cc1
InChIInChI=1S/C23H26FN3O3S/c1-17-6-8-18(9-7-17)16-31(28,29)27-11-10-23-21(13-27)22(25-26(23)2)15-30-14-19-4-3-5-20(24)12-19/h3-9,12H,10-11,13-16H2,1-2H3
InChIKeyLASMWNLWQRMVNJ-UHFFFAOYSA-N
MW443.54 g/mol
LogP3.47
Rot. Bonds7

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

3-[(3-fluorophenyl)methoxymethyl]-1-methyl-5-[(4-methylphenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 53018476) has the molecular formula C23H26FN3O3S and a molecular weight of 443.54 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-5-[(4-methylphenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methoxymethyl]-1-methyl-5-[(4-methylphenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID53018476
Molecular FormulaC23H26FN3O3S
Molecular Weight443.54 g/mol
Exact Mass443.17
IUPAC Name3-[(3-fluorophenyl)methoxymethyl]-1-methyl-5-[(4-methylphenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1ccc(CS(=O)(=O)N2CCc3c(c(COCc4cccc(F)c4)nn3C)C2)cc1
InChIInChI=1S/C23H26FN3O3S/c1-17-6-8-18(9-7-17)16-31(28,29)27-11-10-23-21(13-27)22(25-26(23)2)15-30-14-19-4-3-5-20(24)12-19/h3-9,12H,10-11,13-16H2,1-2H3
InChIKeyLASMWNLWQRMVNJ-UHFFFAOYSA-N
XLogP3.47
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 53.47
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]-1-methyl-5-[(4-methylphenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-5-[(4-methylphenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 53018476) is 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-5-[(4-methylphenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-5-[(4-methylphenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-5-[(4-methylphenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is Cc1ccc(CS(=O)(=O)N2CCc3c(c(COCc4cccc(F)c4)nn3C)C2)cc1.
What is the InChIKey of 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-5-[(4-methylphenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is LASMWNLWQRMVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3S/c1-17-6-8-18(9-7-17)16-31(28,29)27-11-10-23-21(13-27)22(25-26(23)2)15-30-14-19-4-3-5-20(24)12-19/h3-9,12H,10-11,13-16H2,1-2H3.
What are the key properties of 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-5-[(4-methylphenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
3-[(3-fluorophenyl)methoxymethyl]-1-methyl-5-[(4-methylphenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 443.54 g/mol, XLogP of 3.47, 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]-1-methyl-5-[(4-methylphenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 53018476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).