(5-methyl-3-pyridinyl)-[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone

C23H22N6O — CID 131669014

About (5-methyl-3-pyridinyl)-[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone

(5-methyl-3-pyridinyl)-[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone (PubChem CID 131669014) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)-[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-methyl-3-pyridinyl)-[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone
• PubChem CID: 131669014
• Molecular Formula: C23H22N6O
• Molecular Weight: 398.47 g/mol
• Exact Mass: 398.19
• IUPAC Name: (5-methyl-3-pyridinyl)-[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone
• SMILES: Cc1cncc(C(=O)N2CCCC(c3nc4ccc(-c5ccncc5)cn4n3)C2)c1
• InChI: InChI=1S/C23H22N6O/c1-16-11-20(13-25-12-16)23(30)28-10-2-3-19(14-28)22-26-21-5-4-18(15-29(21)27-22)17-6-8-24-9-7-17/h4-9,11-13,15,19H,2-3,10,14H2,1H3
• InChIKey: MEVJXPOTKPJACO-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 76.28 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.47
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)-[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone?

The IUPAC name of (5-methyl-3-pyridinyl)-[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone (CID 131669014) is (5-methyl-3-pyridinyl)-[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone.

What is the SMILES notation for (5-methyl-3-pyridinyl)-[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone?

The canonical SMILES for (5-methyl-3-pyridinyl)-[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone is Cc1cncc(C(=O)N2CCCC(c3nc4ccc(-c5ccncc5)cn4n3)C2)c1.

What is the InChIKey of (5-methyl-3-pyridinyl)-[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone?

The InChIKey is MEVJXPOTKPJACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-16-11-20(13-25-12-16)23(30)28-10-2-3-19(14-28)22-26-21-5-4-18(15-29(21)27-22)17-6-8-24-9-7-17/h4-9,11-13,15,19H,2-3,10,14H2,1H3.

What are the key properties of (5-methyl-3-pyridinyl)-[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone?

(5-methyl-3-pyridinyl)-[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone has a molecular weight of 398.47 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-3-pyridinyl)-[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 131669014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).