3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propanamide

C24H26N6O3 — CID 55844425

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propanamide

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propanamide (PubChem CID 55844425) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propanamide.

Molecular Properties

• Compound Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propanamide
• PubChem CID: 55844425
• Molecular Formula: C24H26N6O3
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.21
• IUPAC Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propanamide
• SMILES: COc1cc(CNC(=O)CCc2c(C)nc3ncnn3c2C)ccc1OCc1ccncc1
• InChI: InChI=1S/C24H26N6O3/c1-16-20(17(2)30-24(29-16)27-15-28-30)5-7-23(31)26-13-19-4-6-21(22(12-19)32-3)33-14-18-8-10-25-11-9-18/h4,6,8-12,15H,5,7,13-14H2,1-3H3,(H,26,31)
• InChIKey: KRXMVKDJKIEKMF-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 103.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propanamide?

The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propanamide (CID 55844425) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propanamide.

What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propanamide?

The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propanamide is COc1cc(CNC(=O)CCc2c(C)nc3ncnn3c2C)ccc1OCc1ccncc1.

What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propanamide?

The InChIKey is KRXMVKDJKIEKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-16-20(17(2)30-24(29-16)27-15-28-30)5-7-23(31)26-13-19-4-6-21(22(12-19)32-3)33-14-18-8-10-25-11-9-18/h4,6,8-12,15H,5,7,13-14H2,1-3H3,(H,26,31).

What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propanamide?

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propanamide has a molecular weight of 446.51 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 55844425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).