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

C21H19FN4O2 — CID 71048307

IUPAC(1S,5R)-6-[5-[2-fluoro-4-[(5S)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
SMILESC[C@H]1CN(c2ccc(-c3ccc(C4(C#N)[C@@H]5CNC[C@@H]54)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H19FN4O2/c1-12-10-26(20(27)28-12)14-3-4-15(18(22)6-14)13-2-5-19(25-7-13)21(11-23)16-8-24-9-17(16)21/h2-7,12,16-17,24H,8-10H2,1H3/t12-,16-,17+,21?/m0/s1
InChIKeyNMRMFDXHFHNGHG-AQCOPTDMSA-N
MW378.41 g/mol
LogP2.84
Rot. Bonds3

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

(1S,5R)-6-[5-[2-fluoro-4-[(5S)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile (PubChem CID 71048307) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is (1S,5R)-6-[5-[2-fluoro-4-[(5S)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile.

Molecular Properties

Compound Name(1S,5R)-6-[5-[2-fluoro-4-[(5S)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
PubChem CID71048307
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name(1S,5R)-6-[5-[2-fluoro-4-[(5S)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
SMILESC[C@H]1CN(c2ccc(-c3ccc(C4(C#N)[C@@H]5CNC[C@@H]54)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H19FN4O2/c1-12-10-26(20(27)28-12)14-3-4-15(18(22)6-14)13-2-5-19(25-7-13)21(11-23)16-8-24-9-17(16)21/h2-7,12,16-17,24H,8-10H2,1H3/t12-,16-,17+,21?/m0/s1
InChIKeyNMRMFDXHFHNGHG-AQCOPTDMSA-N
XLogP2.84
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

(1R,5S)-6-[5-[2-fluoro-4-[5-(5-fluorotriazol-1-yl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 70973576
(1R,5S)-6-[5-[2-fluoro-4-[(5R)-5-[(5-fluorotriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 71048350
(1R,5S)-6-[5-[2-fluoro-4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 91459908
N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11477249
(1R,5S)-6-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-yl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile
CID 70973615
N-[5-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-pyridinyl]-2-hydroxypropanamide
CID 23438593
tert-butyl 6-cyano-6-[5-[4-[(5S)-5-[[(2,2-difluoroacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 68616340
N-[[(5S)-3-[4-[4-(6-cyano-3-azabicyclo[3.1.0]hexan-6-yl)-3-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68616391
(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 67012308
(1R,5S)-6-[2,6-difluoro-4-[2-fluoro-4-[5-(methylaminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 142987320
(1R,5S)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 71147960
3-[4-[4-(chloromethyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one
CID 143068646

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-[5-[2-fluoro-4-[(5S)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
The IUPAC name of (1S,5R)-6-[5-[2-fluoro-4-[(5S)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile (CID 71048307) is (1S,5R)-6-[5-[2-fluoro-4-[(5S)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile.
What is the SMILES notation for (1S,5R)-6-[5-[2-fluoro-4-[(5S)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
The canonical SMILES for (1S,5R)-6-[5-[2-fluoro-4-[(5S)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile is C[C@H]1CN(c2ccc(-c3ccc(C4(C#N)[C@@H]5CNC[C@@H]54)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of (1S,5R)-6-[5-[2-fluoro-4-[(5S)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
The InChIKey is NMRMFDXHFHNGHG-AQCOPTDMSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-12-10-26(20(27)28-12)14-3-4-15(18(22)6-14)13-2-5-19(25-7-13)21(11-23)16-8-24-9-17(16)21/h2-7,12,16-17,24H,8-10H2,1H3/t12-,16-,17+,21?/m0/s1.
What are the key properties of (1S,5R)-6-[5-[2-fluoro-4-[(5S)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
(1S,5R)-6-[5-[2-fluoro-4-[(5S)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile has a molecular weight of 378.41 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-[5-[2-fluoro-4-[(5S)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile is sourced from PubChem (CID 71048307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).