(6-methoxy-3-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

C18H20N6O2 — CID 118472520

About (6-methoxy-3-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

(6-methoxy-3-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 118472520) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (6-methoxy-3-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
• PubChem CID: 118472520
• Molecular Formula: C18H20N6O2
• Molecular Weight: 352.40 g/mol
• Exact Mass: 352.16
• IUPAC Name: (6-methoxy-3-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
• SMILES: COc1ccc(C(=O)N2CCCC(c3cc(C)nc4ncnn34)C2)cn1
• InChI: InChI=1S/C18H20N6O2/c1-12-8-15(24-18(22-12)20-11-21-24)14-4-3-7-23(10-14)17(25)13-5-6-16(26-2)19-9-13/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3
• InChIKey: BRIAGIIXRYHHJT-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 85.51 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.40
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?

The IUPAC name of (6-methoxy-3-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 118472520) is (6-methoxy-3-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

What is the SMILES notation for (6-methoxy-3-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?

The canonical SMILES for (6-methoxy-3-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCCC(c3cc(C)nc4ncnn34)C2)cn1.

What is the InChIKey of (6-methoxy-3-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?

The InChIKey is BRIAGIIXRYHHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-12-8-15(24-18(22-12)20-11-21-24)14-4-3-7-23(10-14)17(25)13-5-6-16(26-2)19-9-13/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3.

What are the key properties of (6-methoxy-3-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?

(6-methoxy-3-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 352.40 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6-methoxy-3-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118472520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).