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

C25H22FN7O4 — CID 11156353

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

(1R,5S)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexane-6-carbonitrile (PubChem CID 11156353) has the molecular formula C25H22FN7O4 and a molecular weight of 503.49 g/mol. Its IUPAC name is (1R,5S)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexane-6-carbonitrile.

Molecular Properties

• Compound Name: (1R,5S)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexane-6-carbonitrile
• PubChem CID: 11156353
• Molecular Formula: C25H22FN7O4
• Molecular Weight: 503.49 g/mol
• Exact Mass: 503.17
• IUPAC Name: (1R,5S)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexane-6-carbonitrile
• SMILES: N#CC1(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)[C@@H]2CN(C(=O)CO)C[C@@H]21
• InChI: InChI=1S/C25H22FN7O4/c26-21-7-16(33-10-17(37-24(33)36)9-32-6-5-29-30-32)2-3-18(21)15-1-4-22(28-8-15)25(14-27)19-11-31(12-20(19)25)23(35)13-34/h1-8,17,19-20,34H,9-13H2/t17-,19-,20+,25?/m0/s1
• InChIKey: SFGFNVQTYVZPRZ-XEYBJWOJSA-N
• XLogP: 1.35
• TPSA: 137.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.49
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of (1R,5S)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexane-6-carbonitrile (CID 11156353) is (1R,5S)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexane-6-carbonitrile.

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

The canonical SMILES for (1R,5S)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexane-6-carbonitrile is N#CC1(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)[C@@H]2CN(C(=O)CO)C[C@@H]21.

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

The InChIKey is SFGFNVQTYVZPRZ-XEYBJWOJSA-N. The full InChI is InChI=1S/C25H22FN7O4/c26-21-7-16(33-10-17(37-24(33)36)9-32-6-5-29-30-32)2-3-18(21)15-1-4-22(28-8-15)25(14-27)19-11-31(12-20(19)25)23(35)13-34/h1-8,17,19-20,34H,9-13H2/t17-,19-,20+,25?/m0/s1.

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

(1R,5S)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexane-6-carbonitrile has a molecular weight of 503.49 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,5S)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexane-6-carbonitrile is sourced from PubChem (CID 11156353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).