5-methyl-7-[1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C21H24N6 — CID 118472527

About 5-methyl-7-[1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-7-[1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 118472527) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 5-methyl-7-[1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 5-methyl-7-[1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
• PubChem CID: 118472527
• Molecular Formula: C21H24N6
• Molecular Weight: 360.47 g/mol
• Exact Mass: 360.21
• IUPAC Name: 5-methyl-7-[1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
• SMILES: Cc1cc(C2CCCN(Cc3cn(C)c4ccccc34)C2)n2ncnc2n1
• InChI: InChI=1S/C21H24N6/c1-15-10-20(27-21(24-15)22-14-23-27)16-6-5-9-26(12-16)13-17-11-25(2)19-8-4-3-7-18(17)19/h3-4,7-8,10-11,14,16H,5-6,9,12-13H2,1-2H3
• InChIKey: KCYGJKIVHRLHPT-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 51.25 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.47
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-methyl-7-[1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 118472527) is 5-methyl-7-[1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

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

The canonical SMILES for 5-methyl-7-[1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C2CCCN(Cc3cn(C)c4ccccc34)C2)n2ncnc2n1.

What is the InChIKey of 5-methyl-7-[1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?

The InChIKey is KCYGJKIVHRLHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-15-10-20(27-21(24-15)22-14-23-27)16-6-5-9-26(12-16)13-17-11-25(2)19-8-4-3-7-18(17)19/h3-4,7-8,10-11,14,16H,5-6,9,12-13H2,1-2H3.

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

5-methyl-7-[1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 360.47 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-7-[1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 118472527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).