N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]-2-(3-methylphenoxy)propanamide

C26H29N5O4 — CID 46268369

About N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]-2-(3-methylphenoxy)propanamide

N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]-2-(3-methylphenoxy)propanamide (PubChem CID 46268369) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

• Compound Name: N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]-2-(3-methylphenoxy)propanamide
• PubChem CID: 46268369
• Molecular Formula: C26H29N5O4
• Molecular Weight: 475.55 g/mol
• Exact Mass: 475.22
• IUPAC Name: N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]-2-(3-methylphenoxy)propanamide
• SMILES: Cc1cccc(OC(C)C(=O)Nc2ccc(C)c(OCc3cc(=O)n4c(ncn4C(C)C)n3)c2)c1
• InChI: InChI=1S/C26H29N5O4/c1-16(2)30-15-27-26-29-21(13-24(32)31(26)30)14-34-23-12-20(10-9-18(23)4)28-25(33)19(5)35-22-8-6-7-17(3)11-22/h6-13,15-16,19H,14H2,1-5H3,(H,28,33)
• InChIKey: YLMMRFVNICZXSW-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.55
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]-2-(3-methylphenoxy)propanamide (CID 46268369) is N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]-2-(3-methylphenoxy)propanamide.

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

The canonical SMILES for N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)Nc2ccc(C)c(OCc3cc(=O)n4c(ncn4C(C)C)n3)c2)c1.

What is the InChIKey of N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]-2-(3-methylphenoxy)propanamide?

The InChIKey is YLMMRFVNICZXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-16(2)30-15-27-26-29-21(13-24(32)31(26)30)14-34-23-12-20(10-9-18(23)4)28-25(33)19(5)35-22-8-6-7-17(3)11-22/h6-13,15-16,19H,14H2,1-5H3,(H,28,33).

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

N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 475.55 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 46268369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).