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

C22H24ClN3O3S — CID 50832650

IUPAC5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1ccc(COCc2nn(C)c3c2CN(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1
InChIInChI=1S/C22H24ClN3O3S/c1-16-3-5-17(6-4-16)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
InChIKeyQDYZVXNLNDIWSS-UHFFFAOYSA-N
MW445.97 g/mol
LogP3.85
Rot. Bonds6

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

5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 50832650) has the molecular formula C22H24ClN3O3S and a molecular weight of 445.97 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID50832650
Molecular FormulaC22H24ClN3O3S
Molecular Weight445.97 g/mol
Exact Mass445.12
IUPAC Name5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1ccc(COCc2nn(C)c3c2CN(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1
InChIInChI=1S/C22H24ClN3O3S/c1-16-3-5-17(6-4-16)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
InChIKeyQDYZVXNLNDIWSS-UHFFFAOYSA-N
XLogP3.85
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.97
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 50832650) is 5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is Cc1ccc(COCc2nn(C)c3c2CN(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is QDYZVXNLNDIWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3S/c1-16-3-5-17(6-4-16)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-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 445.97 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 50832650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).