6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C24H20F3N7O4 — CID 139493836

About 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 139493836) has the molecular formula C24H20F3N7O4 and a molecular weight of 527.46 g/mol. Its IUPAC name is 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
• PubChem CID: 139493836
• Molecular Formula: C24H20F3N7O4
• Molecular Weight: 527.46 g/mol
• Exact Mass: 527.15
• IUPAC Name: 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
• SMILES: COCc1cc(-c2nnc3c4ccccc4c(OCc4ccc(C(=O)N(C)CC(F)(F)F)cn4)nn23)no1
• InChI: InChI=1S/C24H20F3N7O4/c1-33(13-24(25,26)27)23(35)14-7-8-15(28-10-14)11-37-22-18-6-4-3-5-17(18)20-29-30-21(34(20)31-22)19-9-16(12-36-2)38-32-19/h3-10H,11-13H2,1-2H3
• InChIKey: YNEZOROCDKMHRW-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 120.77 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.46
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?

The IUPAC name of 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 139493836) is 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

What is the SMILES notation for 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?

The canonical SMILES for 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is COCc1cc(-c2nnc3c4ccccc4c(OCc4ccc(C(=O)N(C)CC(F)(F)F)cn4)nn23)no1.

What is the InChIKey of 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?

The InChIKey is YNEZOROCDKMHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O4/c1-33(13-24(25,26)27)23(35)14-7-8-15(28-10-14)11-37-22-18-6-4-3-5-17(18)20-29-30-21(34(20)31-22)19-9-16(12-36-2)38-32-19/h3-10H,11-13H2,1-2H3.

What are the key properties of 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?

6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 527.46 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 139493836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).