N-cyclopentyl-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C23H29N7O — CID 134068907

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

N-cyclopentyl-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134068907) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is N-cyclopentyl-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-cyclopentyl-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 134068907
• Molecular Formula: C23H29N7O
• Molecular Weight: 419.53 g/mol
• Exact Mass: 419.24
• IUPAC Name: N-cyclopentyl-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: CN1CCN(Cc2ccccn2)CC1c1nnc2ccc(C(=O)NC3CCCC3)cn12
• InChI: InChI=1S/C23H29N7O/c1-28-12-13-29(15-19-8-4-5-11-24-19)16-20(28)22-27-26-21-10-9-17(14-30(21)22)23(31)25-18-6-2-3-7-18/h4-5,8-11,14,18,20H,2-3,6-7,12-13,15-16H2,1H3,(H,25,31)
• InChIKey: LKZOPKXFNUSOGA-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 78.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.53
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-cyclopentyl-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134068907) is N-cyclopentyl-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

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

The canonical SMILES for N-cyclopentyl-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CN1CCN(Cc2ccccn2)CC1c1nnc2ccc(C(=O)NC3CCCC3)cn12.

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

The InChIKey is LKZOPKXFNUSOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O/c1-28-12-13-29(15-19-8-4-5-11-24-19)16-20(28)22-27-26-21-10-9-17(14-30(21)22)23(31)25-18-6-2-3-7-18/h4-5,8-11,14,18,20H,2-3,6-7,12-13,15-16H2,1H3,(H,25,31).

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

N-cyclopentyl-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134068907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).