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

C24H22FN7O2 — CID 11190371

IUPAC(1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-methyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
SMILESCN1C[C@@H]2[C@H](C1)C2(C#N)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1
InChIInChI=1S/C24H22FN7O2/c1-30-12-19-20(13-30)24(19,14-26)22-5-2-15(9-27-22)18-4-3-16(8-21(18)25)32-11-17(34-23(32)33)10-31-7-6-28-29-31/h2-9,17,19-20H,10-13H2,1H3/t17-,19-,20+,24?/m0/s1
InChIKeyJJCPRDCUITVWFJ-XXKWPKHCSA-N
MW459.49 g/mol
LogP2.46
Rot. Bonds5

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

(1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-methyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile (PubChem CID 11190371) has the molecular formula C24H22FN7O2 and a molecular weight of 459.49 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-methyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile.

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-methyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
PubChem CID11190371
Molecular FormulaC24H22FN7O2
Molecular Weight459.49 g/mol
Exact Mass459.18
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-methyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
SMILESCN1C[C@@H]2[C@H](C1)C2(C#N)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1
InChIInChI=1S/C24H22FN7O2/c1-30-12-19-20(13-30)24(19,14-26)22-5-2-15(9-27-22)18-4-3-16(8-21(18)25)32-11-17(34-23(32)33)10-31-7-6-28-29-31/h2-9,17,19-20H,10-13H2,1H3/t17-,19-,20+,24?/m0/s1
InChIKeyJJCPRDCUITVWFJ-XXKWPKHCSA-N
XLogP2.46
TPSA100.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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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-methyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
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-methyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile (CID 11190371) is (1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-methyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile.
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-methyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
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-methyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile is 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-methyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
The InChIKey is JJCPRDCUITVWFJ-XXKWPKHCSA-N. The full InChI is InChI=1S/C24H22FN7O2/c1-30-12-19-20(13-30)24(19,14-26)22-5-2-15(9-27-22)18-4-3-16(8-21(18)25)32-11-17(34-23(32)33)10-31-7-6-28-29-31/h2-9,17,19-20H,10-13H2,1H3/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-methyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
(1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-methyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile has a molecular weight of 459.49 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 8 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-methyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile is sourced from PubChem (CID 11190371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).