3-(4-benzyl-1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C25H27N7O — CID 134068878

About 3-(4-benzyl-1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-(4-benzyl-1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134068878) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 3-(4-benzyl-1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-(4-benzyl-1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 134068878
• Molecular Formula: C25H27N7O
• Molecular Weight: 441.54 g/mol
• Exact Mass: 441.23
• IUPAC Name: 3-(4-benzyl-1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: CN1CCN(Cc2ccccc2)CC1c1nnc2ccc(C(=O)NCc3ccncc3)cn12
• InChI: InChI=1S/C25H27N7O/c1-30-13-14-31(16-20-5-3-2-4-6-20)18-22(30)24-29-28-23-8-7-21(17-32(23)24)25(33)27-15-19-9-11-26-12-10-19/h2-12,17,22H,13-16,18H2,1H3,(H,27,33)
• InChIKey: UDMZBIKDHQXUSR-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 78.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.54
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzyl-1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The IUPAC name of 3-(4-benzyl-1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134068878) is 3-(4-benzyl-1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

What is the SMILES notation for 3-(4-benzyl-1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The canonical SMILES for 3-(4-benzyl-1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CN1CCN(Cc2ccccc2)CC1c1nnc2ccc(C(=O)NCc3ccncc3)cn12.

What is the InChIKey of 3-(4-benzyl-1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The InChIKey is UDMZBIKDHQXUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-30-13-14-31(16-20-5-3-2-4-6-20)18-22(30)24-29-28-23-8-7-21(17-32(23)24)25(33)27-15-19-9-11-26-12-10-19/h2-12,17,22H,13-16,18H2,1H3,(H,27,33).

What are the key properties of 3-(4-benzyl-1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

3-(4-benzyl-1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-benzyl-1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134068878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).