5-[2-[difluoro-(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-1,3-oxazolidin-2-one

C20H16F3N7O2 — CID 58494382

About 5-[2-[difluoro-(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-1,3-oxazolidin-2-one

5-[2-[difluoro-(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-1,3-oxazolidin-2-one (PubChem CID 58494382) has the molecular formula C20H16F3N7O2 and a molecular weight of 443.39 g/mol. Its IUPAC name is 5-[2-[difluoro-(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 5-[2-[difluoro-(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-1,3-oxazolidin-2-one
• PubChem CID: 58494382
• Molecular Formula: C20H16F3N7O2
• Molecular Weight: 443.39 g/mol
• Exact Mass: 443.13
• IUPAC Name: 5-[2-[difluoro-(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-1,3-oxazolidin-2-one
• SMILES: Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nn3cc(C4CNC(=O)O4)cc23)n[nH]1
• InChI: InChI=1S/C20H16F3N7O2/c1-10-6-16(28-27-10)25-17-14-7-11(15-8-24-19(31)32-15)9-30(14)29-18(26-17)20(22,23)12-2-4-13(21)5-3-12/h2-7,9,15H,8H2,1H3,(H,24,31)(H2,25,26,27,28,29)
• InChIKey: OZRILTMNDMWUOB-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 109.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.39
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-[difluoro-(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-1,3-oxazolidin-2-one?

The IUPAC name of 5-[2-[difluoro-(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-1,3-oxazolidin-2-one (CID 58494382) is 5-[2-[difluoro-(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 5-[2-[difluoro-(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-1,3-oxazolidin-2-one?

The canonical SMILES for 5-[2-[difluoro-(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-1,3-oxazolidin-2-one is Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nn3cc(C4CNC(=O)O4)cc23)n[nH]1.

What is the InChIKey of 5-[2-[difluoro-(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-1,3-oxazolidin-2-one?

The InChIKey is OZRILTMNDMWUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N7O2/c1-10-6-16(28-27-10)25-17-14-7-11(15-8-24-19(31)32-15)9-30(14)29-18(26-17)20(22,23)12-2-4-13(21)5-3-12/h2-7,9,15H,8H2,1H3,(H,24,31)(H2,25,26,27,28,29).

What are the key properties of 5-[2-[difluoro-(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-1,3-oxazolidin-2-one?

5-[2-[difluoro-(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-1,3-oxazolidin-2-one has a molecular weight of 443.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[difluoro-(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58494382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).