3,5-dimethyl-4-[5-[(1S)-1-pyridin-2-ylethyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyrazin-3-yl]-1,2-oxazole

C23H20F3N7O — CID 118937139

About 3,5-dimethyl-4-[5-[(1S)-1-pyridin-2-ylethyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyrazin-3-yl]-1,2-oxazole

3,5-dimethyl-4-[5-[(1S)-1-pyridin-2-ylethyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyrazin-3-yl]-1,2-oxazole (PubChem CID 118937139) has the molecular formula C23H20F3N7O and a molecular weight of 467.46 g/mol. Its IUPAC name is 3,5-dimethyl-4-[5-[(1S)-1-pyridin-2-ylethyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyrazin-3-yl]-1,2-oxazole.

Molecular Properties

• Compound Name: 3,5-dimethyl-4-[5-[(1S)-1-pyridin-2-ylethyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyrazin-3-yl]-1,2-oxazole
• PubChem CID: 118937139
• Molecular Formula: C23H20F3N7O
• Molecular Weight: 467.46 g/mol
• Exact Mass: 467.17
• IUPAC Name: 3,5-dimethyl-4-[5-[(1S)-1-pyridin-2-ylethyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyrazin-3-yl]-1,2-oxazole
• SMILES: Cc1noc(C)c1-c1cnc2c(-c3cnn(CC(F)(F)F)c3)cn([C@@H](C)c3ccccn3)c2n1
• InChI: InChI=1S/C23H20F3N7O/c1-13-20(15(3)34-31-13)19-9-28-21-17(16-8-29-32(10-16)12-23(24,25)26)11-33(22(21)30-19)14(2)18-6-4-5-7-27-18/h4-11,14H,12H2,1-3H3/t14-/m0/s1
• InChIKey: WMLDPNUUBUMFTO-AWEZNQCLSA-N
• XLogP: 5.13
• TPSA: 87.45 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.46
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[5-[(1S)-1-pyridin-2-ylethyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyrazin-3-yl]-1,2-oxazole?

The IUPAC name of 3,5-dimethyl-4-[5-[(1S)-1-pyridin-2-ylethyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyrazin-3-yl]-1,2-oxazole (CID 118937139) is 3,5-dimethyl-4-[5-[(1S)-1-pyridin-2-ylethyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyrazin-3-yl]-1,2-oxazole.

What is the SMILES notation for 3,5-dimethyl-4-[5-[(1S)-1-pyridin-2-ylethyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyrazin-3-yl]-1,2-oxazole?

The canonical SMILES for 3,5-dimethyl-4-[5-[(1S)-1-pyridin-2-ylethyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyrazin-3-yl]-1,2-oxazole is Cc1noc(C)c1-c1cnc2c(-c3cnn(CC(F)(F)F)c3)cn([C@@H](C)c3ccccn3)c2n1.

What is the InChIKey of 3,5-dimethyl-4-[5-[(1S)-1-pyridin-2-ylethyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyrazin-3-yl]-1,2-oxazole?

The InChIKey is WMLDPNUUBUMFTO-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H20F3N7O/c1-13-20(15(3)34-31-13)19-9-28-21-17(16-8-29-32(10-16)12-23(24,25)26)11-33(22(21)30-19)14(2)18-6-4-5-7-27-18/h4-11,14H,12H2,1-3H3/t14-/m0/s1.

What are the key properties of 3,5-dimethyl-4-[5-[(1S)-1-pyridin-2-ylethyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyrazin-3-yl]-1,2-oxazole?

3,5-dimethyl-4-[5-[(1S)-1-pyridin-2-ylethyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyrazin-3-yl]-1,2-oxazole has a molecular weight of 467.46 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-4-[5-[(1S)-1-pyridin-2-ylethyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyrazin-3-yl]-1,2-oxazole is sourced from PubChem (CID 118937139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).