4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide

C23H23N5O2 — CID 44623348

About 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide

4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide (PubChem CID 44623348) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide
• PubChem CID: 44623348
• Molecular Formula: C23H23N5O2
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.19
• IUPAC Name: 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide
• SMILES: COc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC(C)C)cc4)nc23)cc1
• InChI: InChI=1S/C23H23N5O2/c1-15(2)24-22(29)17-6-10-18(11-7-17)25-23-26-21-20(5-4-14-28(21)27-23)16-8-12-19(30-3)13-9-16/h4-15H,1-3H3,(H,24,29)(H,25,27)
• InChIKey: FFEAVOWUQMQPPD-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 80.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide?

The IUPAC name of 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide (CID 44623348) is 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide.

What is the SMILES notation for 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide?

The canonical SMILES for 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide is COc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC(C)C)cc4)nc23)cc1.

What is the InChIKey of 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide?

The InChIKey is FFEAVOWUQMQPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-15(2)24-22(29)17-6-10-18(11-7-17)25-23-26-21-20(5-4-14-28(21)27-23)16-8-12-19(30-3)13-9-16/h4-15H,1-3H3,(H,24,29)(H,25,27).

What are the key properties of 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide?

4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide has a molecular weight of 401.47 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 44623348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).