5-(4-fluorophenyl)sulfonyl-1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C22H24FN3O3S — CID 50832807

IUPAC5-(4-fluorophenyl)sulfonyl-1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1ccccc1COCc1nn(C)c2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C22H24FN3O3S/c1-16-5-3-4-6-17(16)14-29-15-21-20-13-26(12-11-22(20)25(2)24-21)30(27,28)19-9-7-18(23)8-10-19/h3-10H,11-15H2,1-2H3
InChIKeyLOVPPWDGQHKVBU-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.33
Rot. Bonds6

About 5-(4-fluorophenyl)sulfonyl-1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

5-(4-fluorophenyl)sulfonyl-1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 50832807) has the molecular formula C22H24FN3O3S and a molecular weight of 429.52 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfonyl-1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfonyl-1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID50832807
Molecular FormulaC22H24FN3O3S
Molecular Weight429.52 g/mol
Exact Mass429.15
IUPAC Name5-(4-fluorophenyl)sulfonyl-1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1ccccc1COCc1nn(C)c2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C22H24FN3O3S/c1-16-5-3-4-6-17(16)14-29-15-21-20-13-26(12-11-22(20)25(2)24-21)30(27,28)19-9-7-18(23)8-10-19/h3-10H,11-15H2,1-2H3
InChIKeyLOVPPWDGQHKVBU-UHFFFAOYSA-N
XLogP3.33
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfonyl-1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-(4-fluorophenyl)sulfonyl-1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 50832807) is 5-(4-fluorophenyl)sulfonyl-1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-(4-fluorophenyl)sulfonyl-1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-(4-fluorophenyl)sulfonyl-1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is Cc1ccccc1COCc1nn(C)c2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of 5-(4-fluorophenyl)sulfonyl-1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is LOVPPWDGQHKVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3S/c1-16-5-3-4-6-17(16)14-29-15-21-20-13-26(12-11-22(20)25(2)24-21)30(27,28)19-9-7-18(23)8-10-19/h3-10H,11-15H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)sulfonyl-1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-(4-fluorophenyl)sulfonyl-1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 429.52 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfonyl-1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 50832807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).