(1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3,6-dicarbonitrile

C24H19FN8O2 — CID 11202224

About (1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3,6-dicarbonitrile

(1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3,6-dicarbonitrile (PubChem CID 11202224) has the molecular formula C24H19FN8O2 and a molecular weight of 470.47 g/mol. Its IUPAC name is (1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3,6-dicarbonitrile.

Molecular Properties

• Compound Name: (1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3,6-dicarbonitrile
• PubChem CID: 11202224
• Molecular Formula: C24H19FN8O2
• Molecular Weight: 470.47 g/mol
• Exact Mass: 470.16
• IUPAC Name: (1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3,6-dicarbonitrile
• SMILES: N#CN1C[C@@H]2[C@H](C1)C2(C#N)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1
• InChI: InChI=1S/C24H19FN8O2/c25-21-7-16(33-10-17(35-23(33)34)9-32-6-5-29-30-32)2-3-18(21)15-1-4-22(28-8-15)24(13-26)19-11-31(14-27)12-20(19)24/h1-8,17,19-20H,9-12H2/t17-,19-,20+,24?/m0/s1
• InChIKey: YDARELPQEMYKKW-XXKWPKHCSA-N
• XLogP: 2.31
• TPSA: 123.96 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.47
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3,6-dicarbonitrile?

The IUPAC name of (1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3,6-dicarbonitrile (CID 11202224) is (1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3,6-dicarbonitrile.

What is the SMILES notation for (1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3,6-dicarbonitrile?

The canonical SMILES for (1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3,6-dicarbonitrile is N#CN1C[C@@H]2[C@H](C1)C2(C#N)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1.

What is the InChIKey of (1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3,6-dicarbonitrile?

The InChIKey is YDARELPQEMYKKW-XXKWPKHCSA-N. The full InChI is InChI=1S/C24H19FN8O2/c25-21-7-16(33-10-17(35-23(33)34)9-32-6-5-29-30-32)2-3-18(21)15-1-4-22(28-8-15)24(13-26)19-11-31(14-27)12-20(19)24/h1-8,17,19-20H,9-12H2/t17-,19-,20+,24?/m0/s1.

What are the key properties of (1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3,6-dicarbonitrile?

(1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3,6-dicarbonitrile has a molecular weight of 470.47 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3,6-dicarbonitrile is sourced from PubChem (CID 11202224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).