(1S,5R)-6-[3-[2-fluoro-4-[(5R)-5-[(5-fluorotriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-4-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile

C23H19F2N7O2 — CID 91119799

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

(1S,5R)-6-[3-[2-fluoro-4-[(5R)-5-[(5-fluorotriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-4-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile (PubChem CID 91119799) has the molecular formula C23H19F2N7O2 and a molecular weight of 463.45 g/mol. Its IUPAC name is (1S,5R)-6-[3-[2-fluoro-4-[(5R)-5-[(5-fluorotriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-4-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile.

Molecular Properties

• Compound Name: (1S,5R)-6-[3-[2-fluoro-4-[(5R)-5-[(5-fluorotriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-4-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
• PubChem CID: 91119799
• Molecular Formula: C23H19F2N7O2
• Molecular Weight: 463.45 g/mol
• Exact Mass: 463.16
• IUPAC Name: (1S,5R)-6-[3-[2-fluoro-4-[(5R)-5-[(5-fluorotriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-4-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
• SMILES: N#CC1(c2ccncc2-c2ccc(N3C[C@H](Cn4nncc4F)OC3=O)cc2F)[C@@H]2CNC[C@@H]21
• InChI: InChI=1S/C23H19F2N7O2/c24-20-5-13(31-10-14(34-22(31)33)11-32-21(25)9-29-30-32)1-2-15(20)16-6-27-4-3-17(16)23(12-26)18-7-28-8-19(18)23/h1-6,9,14,18-19,28H,7-8,10-11H2/t14-,18-,19+,23?/m1/s1
• InChIKey: GANCTJQCRDXUEJ-NVAMOEAISA-N
• XLogP: 2.25
• TPSA: 108.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.45
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (1S,5R)-6-[3-[2-fluoro-4-[(5R)-5-[(5-fluorotriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-4-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile (CID 91119799) is (1S,5R)-6-[3-[2-fluoro-4-[(5R)-5-[(5-fluorotriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-4-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile.

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

The canonical SMILES for (1S,5R)-6-[3-[2-fluoro-4-[(5R)-5-[(5-fluorotriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-4-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile is N#CC1(c2ccncc2-c2ccc(N3C[C@H](Cn4nncc4F)OC3=O)cc2F)[C@@H]2CNC[C@@H]21.

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

The InChIKey is GANCTJQCRDXUEJ-NVAMOEAISA-N. The full InChI is InChI=1S/C23H19F2N7O2/c24-20-5-13(31-10-14(34-22(31)33)11-32-21(25)9-29-30-32)1-2-15(20)16-6-27-4-3-17(16)23(12-26)18-7-28-8-19(18)23/h1-6,9,14,18-19,28H,7-8,10-11H2/t14-,18-,19+,23?/m1/s1.

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

(1S,5R)-6-[3-[2-fluoro-4-[(5R)-5-[(5-fluorotriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-4-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile has a molecular weight of 463.45 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,5R)-6-[3-[2-fluoro-4-[(5R)-5-[(5-fluorotriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-4-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile is sourced from PubChem (CID 91119799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).