[2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyrazin-5-yl]-[(1S,5R)-6-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone

C25H20F4N6O2 — CID 166104536

About [2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyrazin-5-yl]-[(1S,5R)-6-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone

[2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyrazin-5-yl]-[(1S,5R)-6-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone (PubChem CID 166104536) has the molecular formula C25H20F4N6O2 and a molecular weight of 512.47 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyrazin-5-yl]-[(1S,5R)-6-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone.

Molecular Properties

• Compound Name: [2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyrazin-5-yl]-[(1S,5R)-6-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
• PubChem CID: 166104536
• Molecular Formula: C25H20F4N6O2
• Molecular Weight: 512.47 g/mol
• Exact Mass: 512.16
• IUPAC Name: [2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyrazin-5-yl]-[(1S,5R)-6-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
• SMILES: Cn1c(-c2ccc(F)cc2)nc2ncc(C(=O)N3C[C@@H]4C(COc5cccnc5C(F)(F)F)[C@@H]4C3)nc21
• InChI: InChI=1S/C25H20F4N6O2/c1-34-22(13-4-6-14(26)7-5-13)33-21-23(34)32-18(9-31-21)24(36)35-10-15-16(11-35)17(15)12-37-19-3-2-8-30-20(19)25(27,28)29/h2-9,15-17H,10-12H2,1H3/t15-,16+,17?
• InChIKey: MZOUIKNEUVKFEG-SJPCQFCGSA-N
• XLogP: 3.98
• TPSA: 86.03 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.47
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyrazin-5-yl]-[(1S,5R)-6-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone?

The IUPAC name of [2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyrazin-5-yl]-[(1S,5R)-6-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone (CID 166104536) is [2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyrazin-5-yl]-[(1S,5R)-6-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone.

What is the SMILES notation for [2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyrazin-5-yl]-[(1S,5R)-6-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone?

The canonical SMILES for [2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyrazin-5-yl]-[(1S,5R)-6-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone is Cn1c(-c2ccc(F)cc2)nc2ncc(C(=O)N3C[C@@H]4C(COc5cccnc5C(F)(F)F)[C@@H]4C3)nc21.

What is the InChIKey of [2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyrazin-5-yl]-[(1S,5R)-6-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone?

The InChIKey is MZOUIKNEUVKFEG-SJPCQFCGSA-N. The full InChI is InChI=1S/C25H20F4N6O2/c1-34-22(13-4-6-14(26)7-5-13)33-21-23(34)32-18(9-31-21)24(36)35-10-15-16(11-35)17(15)12-37-19-3-2-8-30-20(19)25(27,28)29/h2-9,15-17H,10-12H2,1H3/t15-,16+,17?.

What are the key properties of [2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyrazin-5-yl]-[(1S,5R)-6-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone?

[2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyrazin-5-yl]-[(1S,5R)-6-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone has a molecular weight of 512.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyrazin-5-yl]-[(1S,5R)-6-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone is sourced from PubChem (CID 166104536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).