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

C25H30N4O2 — CID 26143204

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

N-benzyl-5-[(3,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26143204) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-benzyl-5-[(3,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-5-[(3,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 26143204
• Molecular Formula: C25H30N4O2
• Molecular Weight: 418.54 g/mol
• Exact Mass: 418.24
• IUPAC Name: N-benzyl-5-[(3,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: Cc1cc(C)cc(CN2CCc3c(c(C(=O)NCc4ccccc4)nn3CCO)C2)c1
• InChI: InChI=1S/C25H30N4O2/c1-18-12-19(2)14-21(13-18)16-28-9-8-23-22(17-28)24(27-29(23)10-11-30)25(31)26-15-20-6-4-3-5-7-20/h3-7,12-14,30H,8-11,15-17H2,1-2H3,(H,26,31)
• InChIKey: SBNRPZJKXCXUBS-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 70.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.54
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-benzyl-5-[(3,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26143204) is N-benzyl-5-[(3,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for N-benzyl-5-[(3,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cc1cc(C)cc(CN2CCc3c(c(C(=O)NCc4ccccc4)nn3CCO)C2)c1.

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

The InChIKey is SBNRPZJKXCXUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18-12-19(2)14-21(13-18)16-28-9-8-23-22(17-28)24(27-29(23)10-11-30)25(31)26-15-20-6-4-3-5-7-20/h3-7,12-14,30H,8-11,15-17H2,1-2H3,(H,26,31).

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

N-benzyl-5-[(3,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-5-[(3,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26143204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).