(1-methylpyrrol-3-yl)-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

C17H20N6O — CID 155441282

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

(1-methylpyrrol-3-yl)-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 155441282) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is (1-methylpyrrol-3-yl)-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (1-methylpyrrol-3-yl)-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
• PubChem CID: 155441282
• Molecular Formula: C17H20N6O
• Molecular Weight: 324.39 g/mol
• Exact Mass: 324.17
• IUPAC Name: (1-methylpyrrol-3-yl)-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
• SMILES: Cc1cc([C@H]2CCCN(C(=O)c3ccn(C)c3)C2)n2ncnc2n1
• InChI: InChI=1S/C17H20N6O/c1-12-8-15(23-17(20-12)18-11-19-23)13-4-3-6-22(10-13)16(24)14-5-7-21(2)9-14/h5,7-9,11,13H,3-4,6,10H2,1-2H3/t13-/m0/s1
• InChIKey: XQDCPNCPTITCMO-ZDUSSCGKSA-N
• XLogP: 1.79
• TPSA: 68.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.39
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (1-methylpyrrol-3-yl)-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 155441282) is (1-methylpyrrol-3-yl)-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

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

The canonical SMILES for (1-methylpyrrol-3-yl)-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is Cc1cc([C@H]2CCCN(C(=O)c3ccn(C)c3)C2)n2ncnc2n1.

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

The InChIKey is XQDCPNCPTITCMO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12-8-15(23-17(20-12)18-11-19-23)13-4-3-6-22(10-13)16(24)14-5-7-21(2)9-14/h5,7-9,11,13H,3-4,6,10H2,1-2H3/t13-/m0/s1.

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

(1-methylpyrrol-3-yl)-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 324.39 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylpyrrol-3-yl)-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 155441282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).