3-N-benzyl-5-N-(2,5-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide

C24H27N5O2 — CID 53066792

About 3-N-benzyl-5-N-(2,5-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide

3-N-benzyl-5-N-(2,5-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide (PubChem CID 53066792) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-N-benzyl-5-N-(2,5-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 3-N-benzyl-5-N-(2,5-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide
• PubChem CID: 53066792
• Molecular Formula: C24H27N5O2
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.22
• IUPAC Name: 3-N-benzyl-5-N-(2,5-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide
• SMILES: Cc1ccc(C)c(NC(=O)N2CCc3c(c(C(=O)NCc4ccccc4)nn3C)C2)c1
• InChI: InChI=1S/C24H27N5O2/c1-16-9-10-17(2)20(13-16)26-24(31)29-12-11-21-19(15-29)22(27-28(21)3)23(30)25-14-18-7-5-4-6-8-18/h4-10,13H,11-12,14-15H2,1-3H3,(H,25,30)(H,26,31)
• InChIKey: NFMMLTDLUATQIK-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 79.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-5-N-(2,5-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide?

The IUPAC name of 3-N-benzyl-5-N-(2,5-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide (CID 53066792) is 3-N-benzyl-5-N-(2,5-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide.

What is the SMILES notation for 3-N-benzyl-5-N-(2,5-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide?

The canonical SMILES for 3-N-benzyl-5-N-(2,5-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide is Cc1ccc(C)c(NC(=O)N2CCc3c(c(C(=O)NCc4ccccc4)nn3C)C2)c1.

What is the InChIKey of 3-N-benzyl-5-N-(2,5-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide?

The InChIKey is NFMMLTDLUATQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-16-9-10-17(2)20(13-16)26-24(31)29-12-11-21-19(15-29)22(27-28(21)3)23(30)25-14-18-7-5-4-6-8-18/h4-10,13H,11-12,14-15H2,1-3H3,(H,25,30)(H,26,31).

What are the key properties of 3-N-benzyl-5-N-(2,5-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide?

3-N-benzyl-5-N-(2,5-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-benzyl-5-N-(2,5-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 53066792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).