3-(2-methylpyrazol-3-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one

C18H22N6O — CID 118790726

About 3-(2-methylpyrazol-3-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one

3-(2-methylpyrazol-3-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one (PubChem CID 118790726) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(2-methylpyrazol-3-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
• PubChem CID: 118790726
• Molecular Formula: C18H22N6O
• Molecular Weight: 338.42 g/mol
• Exact Mass: 338.19
• IUPAC Name: 3-(2-methylpyrazol-3-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
• SMILES: Cn1nccc1CCC(=O)N1CCC(c2nnc3ccccn23)CC1
• InChI: InChI=1S/C18H22N6O/c1-22-15(7-10-19-22)5-6-17(25)23-12-8-14(9-13-23)18-21-20-16-4-2-3-11-24(16)18/h2-4,7,10-11,14H,5-6,8-9,12-13H2,1H3
• InChIKey: RJGLZQZZRJCVRD-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 68.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.42
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one?

The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one (CID 118790726) is 3-(2-methylpyrazol-3-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one is Cn1nccc1CCC(=O)N1CCC(c2nnc3ccccn23)CC1.

What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one?

The InChIKey is RJGLZQZZRJCVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-22-15(7-10-19-22)5-6-17(25)23-12-8-14(9-13-23)18-21-20-16-4-2-3-11-24(16)18/h2-4,7,10-11,14H,5-6,8-9,12-13H2,1H3.

What are the key properties of 3-(2-methylpyrazol-3-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one?

3-(2-methylpyrazol-3-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one has a molecular weight of 338.42 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methylpyrazol-3-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 118790726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).