N-[(1R)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(4-methylphenoxy)propanamide

C24H25N5O3 — CID 110211548

About N-[(1R)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(4-methylphenoxy)propanamide

N-[(1R)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(4-methylphenoxy)propanamide (PubChem CID 110211548) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[(1R)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(4-methylphenoxy)propanamide
• PubChem CID: 110211548
• Molecular Formula: C24H25N5O3
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.20
• IUPAC Name: N-[(1R)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(4-methylphenoxy)propanamide
• SMILES: COc1ccc(-c2cc3nc([C@@H](C)NC(=O)C(C)Oc4ccc(C)cc4)nn3cn2)cc1
• InChI: InChI=1S/C24H25N5O3/c1-15-5-9-20(10-6-15)32-17(3)24(30)26-16(2)23-27-22-13-21(25-14-29(22)28-23)18-7-11-19(31-4)12-8-18/h5-14,16-17H,1-4H3,(H,26,30)/t16-,17?/m1/s1
• InChIKey: MXSVBRTYGGSAFB-TZHYSIJRSA-N
• XLogP: 3.75
• TPSA: 90.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(4-methylphenoxy)propanamide?

The IUPAC name of N-[(1R)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(4-methylphenoxy)propanamide (CID 110211548) is N-[(1R)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(4-methylphenoxy)propanamide.

What is the SMILES notation for N-[(1R)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(4-methylphenoxy)propanamide?

The canonical SMILES for N-[(1R)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(4-methylphenoxy)propanamide is COc1ccc(-c2cc3nc([C@@H](C)NC(=O)C(C)Oc4ccc(C)cc4)nn3cn2)cc1.

What is the InChIKey of N-[(1R)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(4-methylphenoxy)propanamide?

The InChIKey is MXSVBRTYGGSAFB-TZHYSIJRSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-15-5-9-20(10-6-15)32-17(3)24(30)26-16(2)23-27-22-13-21(25-14-29(22)28-23)18-7-11-19(31-4)12-8-18/h5-14,16-17H,1-4H3,(H,26,30)/t16-,17?/m1/s1.

What are the key properties of N-[(1R)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(4-methylphenoxy)propanamide?

N-[(1R)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(4-methylphenoxy)propanamide has a molecular weight of 431.50 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 110211548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).