2-(2,4-difluorophenoxy)-1-[(2R)-2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone

C18H21F2N5O2 — CID 95833869

About 2-(2,4-difluorophenoxy)-1-[(2R)-2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone

2-(2,4-difluorophenoxy)-1-[(2R)-2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone (PubChem CID 95833869) has the molecular formula C18H21F2N5O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-1-[(2R)-2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2,4-difluorophenoxy)-1-[(2R)-2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone
• PubChem CID: 95833869
• Molecular Formula: C18H21F2N5O2
• Molecular Weight: 377.40 g/mol
• Exact Mass: 377.17
• IUPAC Name: 2-(2,4-difluorophenoxy)-1-[(2R)-2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone
• SMILES: CN1CCn2c(nnc2[C@H]2CCCN2C(=O)COc2ccc(F)cc2F)C1
• InChI: InChI=1S/C18H21F2N5O2/c1-23-7-8-25-16(10-23)21-22-18(25)14-3-2-6-24(14)17(26)11-27-15-5-4-12(19)9-13(15)20/h4-5,9,14H,2-3,6-8,10-11H2,1H3/t14-/m1/s1
• InChIKey: FNFKVNLPSSLRNH-CQSZACIVSA-N
• XLogP: 1.74
• TPSA: 63.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.40
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-1-[(2R)-2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone?

The IUPAC name of 2-(2,4-difluorophenoxy)-1-[(2R)-2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone (CID 95833869) is 2-(2,4-difluorophenoxy)-1-[(2R)-2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone.

What is the SMILES notation for 2-(2,4-difluorophenoxy)-1-[(2R)-2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone?

The canonical SMILES for 2-(2,4-difluorophenoxy)-1-[(2R)-2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone is CN1CCn2c(nnc2[C@H]2CCCN2C(=O)COc2ccc(F)cc2F)C1.

What is the InChIKey of 2-(2,4-difluorophenoxy)-1-[(2R)-2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone?

The InChIKey is FNFKVNLPSSLRNH-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21F2N5O2/c1-23-7-8-25-16(10-23)21-22-18(25)14-3-2-6-24(14)17(26)11-27-15-5-4-12(19)9-13(15)20/h4-5,9,14H,2-3,6-8,10-11H2,1H3/t14-/m1/s1.

What are the key properties of 2-(2,4-difluorophenoxy)-1-[(2R)-2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone?

2-(2,4-difluorophenoxy)-1-[(2R)-2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 377.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorophenoxy)-1-[(2R)-2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95833869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).