6-[4-[2-fluoro-4-[(4R)-2-oxo-4-(pyrazin-2-yloxymethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]pyridine-3-carbonitrile

C24H22FN7O3 — CID 70205193

IUPAC6-[4-[2-fluoro-4-[(4R)-2-oxo-4-(pyrazin-2-yloxymethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(c3ccc(N4C(=O)OC[C@H]4COc4cnccn4)cc3F)CC2)nc1
InChIInChI=1S/C24H22FN7O3/c25-20-11-18(32-19(16-35-24(32)33)15-34-23-14-27-5-6-28-23)2-3-21(20)30-7-9-31(10-8-30)22-4-1-17(12-26)13-29-22/h1-6,11,13-14,19H,7-10,15-16H2/t19-/m1/s1
InChIKeyDUHREAXCTMNVJA-LJQANCHMSA-N
MW475.48 g/mol
LogP2.61
Rot. Bonds6

About 6-[4-[2-fluoro-4-[(4R)-2-oxo-4-(pyrazin-2-yloxymethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[2-fluoro-4-[(4R)-2-oxo-4-(pyrazin-2-yloxymethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 70205193) has the molecular formula C24H22FN7O3 and a molecular weight of 475.48 g/mol. Its IUPAC name is 6-[4-[2-fluoro-4-[(4R)-2-oxo-4-(pyrazin-2-yloxymethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-fluoro-4-[(4R)-2-oxo-4-(pyrazin-2-yloxymethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID70205193
Molecular FormulaC24H22FN7O3
Molecular Weight475.48 g/mol
Exact Mass475.18
IUPAC Name6-[4-[2-fluoro-4-[(4R)-2-oxo-4-(pyrazin-2-yloxymethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(c3ccc(N4C(=O)OC[C@H]4COc4cnccn4)cc3F)CC2)nc1
InChIInChI=1S/C24H22FN7O3/c25-20-11-18(32-19(16-35-24(32)33)15-34-23-14-27-5-6-28-23)2-3-21(20)30-7-9-31(10-8-30)22-4-1-17(12-26)13-29-22/h1-6,11,13-14,19H,7-10,15-16H2/t19-/m1/s1
InChIKeyDUHREAXCTMNVJA-LJQANCHMSA-N
XLogP2.61
TPSA107.71 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzonitrile
CID 126697855
6-[4-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 21356602
2-[(1S,5R)-3-[4-[(4R)-4-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanenitrile
CID 91259488
1-[5-[4-(4-amino-2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]piperidine-4-carbonitrile
CID 171629548
N-[[(4S)-3-[3-fluoro-4-(4-nitrosopiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
CID 54525233
6-[4-(2-methoxy-4-pyridinyl)-3-oxopiperazin-1-yl]pyridine-3-carbonitrile
CID 139022978
3-fluoro-4-[3-(pyrazin-2-ylamino)piperidin-1-yl]benzonitrile
CID 133296356
3-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133284896
6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 154778818
6-[4-[[(3R)-oxan-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 124752860
3-[3,5-difluoro-4-(1,2,3,4-tetrahydropyridin-4-yl)phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 70141442
3-fluoro-4-[4-(2-oxooxolan-3-yl)piperazin-1-yl]benzonitrile
CID 56800741

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-fluoro-4-[(4R)-2-oxo-4-(pyrazin-2-yloxymethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[2-fluoro-4-[(4R)-2-oxo-4-(pyrazin-2-yloxymethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 70205193) is 6-[4-[2-fluoro-4-[(4R)-2-oxo-4-(pyrazin-2-yloxymethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[2-fluoro-4-[(4R)-2-oxo-4-(pyrazin-2-yloxymethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[2-fluoro-4-[(4R)-2-oxo-4-(pyrazin-2-yloxymethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(c3ccc(N4C(=O)OC[C@H]4COc4cnccn4)cc3F)CC2)nc1.
What is the InChIKey of 6-[4-[2-fluoro-4-[(4R)-2-oxo-4-(pyrazin-2-yloxymethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is DUHREAXCTMNVJA-LJQANCHMSA-N. The full InChI is InChI=1S/C24H22FN7O3/c25-20-11-18(32-19(16-35-24(32)33)15-34-23-14-27-5-6-28-23)2-3-21(20)30-7-9-31(10-8-30)22-4-1-17(12-26)13-29-22/h1-6,11,13-14,19H,7-10,15-16H2/t19-/m1/s1.
What are the key properties of 6-[4-[2-fluoro-4-[(4R)-2-oxo-4-(pyrazin-2-yloxymethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[2-fluoro-4-[(4R)-2-oxo-4-(pyrazin-2-yloxymethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 475.48 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-fluoro-4-[(4R)-2-oxo-4-(pyrazin-2-yloxymethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 70205193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).