5-(3,5-dimethylphenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C23H27N3O3S — CID 50832796

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

5-(3,5-dimethylphenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 50832796) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: 5-(3,5-dimethylphenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• PubChem CID: 50832796
• Molecular Formula: C23H27N3O3S
• Molecular Weight: 425.55 g/mol
• Exact Mass: 425.18
• IUPAC Name: 5-(3,5-dimethylphenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• SMILES: Cc1cc(C)cc(S(=O)(=O)N2CCc3c(c(COCc4ccccc4)nn3C)C2)c1
• InChI: InChI=1S/C23H27N3O3S/c1-17-11-18(2)13-20(12-17)30(27,28)26-10-9-23-21(14-26)22(24-25(23)3)16-29-15-19-7-5-4-6-8-19/h4-8,11-13H,9-10,14-16H2,1-3H3
• InChIKey: ADAIPHALDORKAG-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 64.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.55
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The IUPAC name of 5-(3,5-dimethylphenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 50832796) is 5-(3,5-dimethylphenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

What is the SMILES notation for 5-(3,5-dimethylphenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The canonical SMILES for 5-(3,5-dimethylphenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is Cc1cc(C)cc(S(=O)(=O)N2CCc3c(c(COCc4ccccc4)nn3C)C2)c1.

What is the InChIKey of 5-(3,5-dimethylphenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The InChIKey is ADAIPHALDORKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-17-11-18(2)13-20(12-17)30(27,28)26-10-9-23-21(14-26)22(24-25(23)3)16-29-15-19-7-5-4-6-8-19/h4-8,11-13H,9-10,14-16H2,1-3H3.

What are the key properties of 5-(3,5-dimethylphenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

5-(3,5-dimethylphenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 425.55 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-dimethylphenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 50832796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).