[3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-piperidin-1-ylmethanone

C23H29N7O — CID 134068912

About [3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-piperidin-1-ylmethanone

[3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-piperidin-1-ylmethanone (PubChem CID 134068912) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is [3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: [3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-piperidin-1-ylmethanone
• PubChem CID: 134068912
• Molecular Formula: C23H29N7O
• Molecular Weight: 419.53 g/mol
• Exact Mass: 419.24
• IUPAC Name: [3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-piperidin-1-ylmethanone
• SMILES: CN1CCN(Cc2ccccn2)CC1c1nnc2ccc(C(=O)N3CCCCC3)cn12
• InChI: InChI=1S/C23H29N7O/c1-27-13-14-28(16-19-7-3-4-10-24-19)17-20(27)22-26-25-21-9-8-18(15-30(21)22)23(31)29-11-5-2-6-12-29/h3-4,7-10,15,20H,2,5-6,11-14,16-17H2,1H3
• InChIKey: SQIFNEGJSLSEKF-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 69.87 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.53
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-piperidin-1-ylmethanone (CID 134068912) is [3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-piperidin-1-ylmethanone.

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

The canonical SMILES for [3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-piperidin-1-ylmethanone is CN1CCN(Cc2ccccn2)CC1c1nnc2ccc(C(=O)N3CCCCC3)cn12.

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

The InChIKey is SQIFNEGJSLSEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O/c1-27-13-14-28(16-19-7-3-4-10-24-19)17-20(27)22-26-25-21-9-8-18(15-30(21)22)23(31)29-11-5-2-6-12-29/h3-4,7-10,15,20H,2,5-6,11-14,16-17H2,1H3.

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

[3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 419.53 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 134068912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).