2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide

C24H30N8O2 — CID 155226142

About 2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide

2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide (PubChem CID 155226142) has the molecular formula C24H30N8O2 and a molecular weight of 462.56 g/mol. Its IUPAC name is 2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide
• PubChem CID: 155226142
• Molecular Formula: C24H30N8O2
• Molecular Weight: 462.56 g/mol
• Exact Mass: 462.25
• IUPAC Name: 2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide
• SMILES: CNC(=O)CN1CCN(c2cc3c(C(C)C)c(-c4cc(OC)c5ncnn5c4)[nH]c3cn2)CC1
• InChI: InChI=1S/C24H30N8O2/c1-15(2)22-17-10-20(31-7-5-30(6-8-31)13-21(33)25-3)26-11-18(17)29-23(22)16-9-19(34-4)24-27-14-28-32(24)12-16/h9-12,14-15,29H,5-8,13H2,1-4H3,(H,25,33)
• InChIKey: WQLIBNCQJUSQBJ-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 103.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.56
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide?

The IUPAC name of 2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide (CID 155226142) is 2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide.

What is the SMILES notation for 2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide?

The canonical SMILES for 2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(c2cc3c(C(C)C)c(-c4cc(OC)c5ncnn5c4)[nH]c3cn2)CC1.

What is the InChIKey of 2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide?

The InChIKey is WQLIBNCQJUSQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O2/c1-15(2)22-17-10-20(31-7-5-30(6-8-31)13-21(33)25-3)26-11-18(17)29-23(22)16-9-19(34-4)24-27-14-28-32(24)12-16/h9-12,14-15,29H,5-8,13H2,1-4H3,(H,25,33).

What are the key properties of 2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide?

2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide has a molecular weight of 462.56 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 155226142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).