6-[5-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-[(2S,4S)-4-fluoropyrrolidine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;hydrochloride

C28H26ClF3N8O3 — CID 69053598

About 6-[5-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-[(2S,4S)-4-fluoropyrrolidine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;hydrochloride

6-[5-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-[(2S,4S)-4-fluoropyrrolidine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;hydrochloride (PubChem CID 69053598) has the molecular formula C28H26ClF3N8O3 and a molecular weight of 615.02 g/mol. Its IUPAC name is 6-[5-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-[(2S,4S)-4-fluoropyrrolidine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;hydrochloride.

Molecular Properties

• Compound Name: 6-[5-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-[(2S,4S)-4-fluoropyrrolidine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;hydrochloride
• PubChem CID: 69053598
• Molecular Formula: C28H26ClF3N8O3
• Molecular Weight: 615.02 g/mol
• Exact Mass: 614.18
• IUPAC Name: 6-[5-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-[(2S,4S)-4-fluoropyrrolidine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;hydrochloride
• SMILES: Cl.N#CC1(c2ccc(-c3c(F)cc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)C2CN(C(=O)[C@@H]3C[C@H](F)CN3)CC21
• InChI: InChI=1S/C28H25F3N8O3.ClH/c29-16-5-23(33-9-16)26(40)37-12-19-20(13-37)28(19,14-32)24-2-1-15(8-34-24)25-21(30)6-17(7-22(25)31)39-11-18(42-27(39)41)10-38-4-3-35-36-38;/h1-4,6-8,16,18-20,23,33H,5,9-13H2;1H/t16-,18-,19?,20?,23-,28?;/m0./s1
• InChIKey: WLZOUOIYSHVBEG-HDDWEQNSSA-N
• XLogP: 2.62
• TPSA: 129.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	615.02
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-[5-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-[(2S,4S)-4-fluoropyrrolidine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;hydrochloride (CID 69053598) is 6-[5-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-[(2S,4S)-4-fluoropyrrolidine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;hydrochloride.

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

The canonical SMILES for 6-[5-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-[(2S,4S)-4-fluoropyrrolidine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;hydrochloride is Cl.N#CC1(c2ccc(-c3c(F)cc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)C2CN(C(=O)[C@@H]3C[C@H](F)CN3)CC21.

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

The InChIKey is WLZOUOIYSHVBEG-HDDWEQNSSA-N. The full InChI is InChI=1S/C28H25F3N8O3.ClH/c29-16-5-23(33-9-16)26(40)37-12-19-20(13-37)28(19,14-32)24-2-1-15(8-34-24)25-21(30)6-17(7-22(25)31)39-11-18(42-27(39)41)10-38-4-3-35-36-38;/h1-4,6-8,16,18-20,23,33H,5,9-13H2;1H/t16-,18-,19?,20?,23-,28?;/m0./s1.

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

6-[5-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-[(2S,4S)-4-fluoropyrrolidine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;hydrochloride has a molecular weight of 615.02 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-[(2S,4S)-4-fluoropyrrolidine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;hydrochloride is sourced from PubChem (CID 69053598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).