6-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine

C19H15F2N5 — CID 121350070

About 6-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine

6-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 121350070) has the molecular formula C19H15F2N5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 6-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 6-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 121350070
• Molecular Formula: C19H15F2N5
• Molecular Weight: 351.36 g/mol
• Exact Mass: 351.13
• IUPAC Name: 6-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: Cc1c(F)ccc(-c2nc3n(c2-c2ccc4ncnn4c2)CCC3)c1F
• InChI: InChI=1S/C19H15F2N5/c1-11-14(20)6-5-13(17(11)21)18-19(25-8-2-3-16(25)24-18)12-4-7-15-22-10-23-26(15)9-12/h4-7,9-10H,2-3,8H2,1H3
• InChIKey: OUBKUHASGUCGFJ-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 48.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.36
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 6-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 121350070) is 6-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 6-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 6-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(F)ccc(-c2nc3n(c2-c2ccc4ncnn4c2)CCC3)c1F.

What is the InChIKey of 6-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is OUBKUHASGUCGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5/c1-11-14(20)6-5-13(17(11)21)18-19(25-8-2-3-16(25)24-18)12-4-7-15-22-10-23-26(15)9-12/h4-7,9-10H,2-3,8H2,1H3.

What are the key properties of 6-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?

6-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 351.36 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 121350070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).