1-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone

C21H25N5OS — CID 131671565

About 1-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone

1-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 131671565) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 1-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

• Compound Name: 1-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
• PubChem CID: 131671565
• Molecular Formula: C21H25N5OS
• Molecular Weight: 395.53 g/mol
• Exact Mass: 395.18
• IUPAC Name: 1-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
• SMILES: O=C(Cc1cccs1)N1CCCC(c2nc3ccc(N4CCCC4)cn3n2)C1
• InChI: InChI=1S/C21H25N5OS/c27-20(13-18-6-4-12-28-18)25-11-3-5-16(14-25)21-22-19-8-7-17(15-26(19)23-21)24-9-1-2-10-24/h4,6-8,12,15-16H,1-3,5,9-11,13-14H2
• InChIKey: KXXGUNZSTZIKFU-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 53.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.53
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone (CID 131671565) is 1-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone.

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

The canonical SMILES for 1-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCCC(c2nc3ccc(N4CCCC4)cn3n2)C1.

What is the InChIKey of 1-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?

The InChIKey is KXXGUNZSTZIKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c27-20(13-18-6-4-12-28-18)25-11-3-5-16(14-25)21-22-19-8-7-17(15-26(19)23-21)24-9-1-2-10-24/h4,6-8,12,15-16H,1-3,5,9-11,13-14H2.

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

1-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 395.53 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 131671565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).