3,3-difluoro-1-[2-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one

C22H23F3N6O3 — CID 172581494

IUPAC3,3-difluoro-1-[2-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one
SMILESO=C(C1CCN(c2nccc(N3CCC(F)(F)C3=O)n2)CC1)N1OCC[C@H]1c1cncc(F)c1
InChIInChI=1S/C22H23F3N6O3/c23-16-11-15(12-26-13-16)17-4-10-34-31(17)19(32)14-2-7-29(8-3-14)21-27-6-1-18(28-21)30-9-5-22(24,25)20(30)33/h1,6,11-14,17H,2-5,7-10H2/t17-/m0/s1
InChIKeyFEYOKMGNLHYJOX-KRWDZBQOSA-N
MW476.46 g/mol
LogP2.50
Rot. Bonds4

About 3,3-difluoro-1-[2-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one

3,3-difluoro-1-[2-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one (PubChem CID 172581494) has the molecular formula C22H23F3N6O3 and a molecular weight of 476.46 g/mol. Its IUPAC name is 3,3-difluoro-1-[2-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name3,3-difluoro-1-[2-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one
PubChem CID172581494
Molecular FormulaC22H23F3N6O3
Molecular Weight476.46 g/mol
Exact Mass476.18
IUPAC Name3,3-difluoro-1-[2-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one
SMILESO=C(C1CCN(c2nccc(N3CCC(F)(F)C3=O)n2)CC1)N1OCC[C@H]1c1cncc(F)c1
InChIInChI=1S/C22H23F3N6O3/c23-16-11-15(12-26-13-16)17-4-10-34-31(17)19(32)14-2-7-29(8-3-14)21-27-6-1-18(28-21)30-9-5-22(24,25)20(30)33/h1,6,11-14,17H,2-5,7-10H2/t17-/m0/s1
InChIKeyFEYOKMGNLHYJOX-KRWDZBQOSA-N
XLogP2.50
TPSA91.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,3-difluoro-1-[2-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one with MolForge

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Related Compounds

5-[5-fluoro-2-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-4-one
CID 172581446
5-[(3S)-2-[1-(4-formylpyrimidin-2-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 170001085
3-[5-fluoro-2-[4-[(3S)-3-(5-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 172581520
[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-[1-[4-(oxetan-3-yl)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 172581423
3-fluoro-5-[2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile
CID 170776244
5-[(3S)-2-[1-(6-oxo-1H-pyrimidin-2-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 162376315
2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide
CID 162376527
2-[4-[3-(6-amino-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile
CID 162376533
2-methyl-5-[(3S)-2-(1-pyrimidin-2-ylpiperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 169090117
3-[5-fluoro-2-[4-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 172581466
1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one
CID 129188882
5-[5-fluoro-2-[4-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-4-one
CID 172581364

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[2-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 3,3-difluoro-1-[2-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one (CID 172581494) is 3,3-difluoro-1-[2-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 3,3-difluoro-1-[2-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 3,3-difluoro-1-[2-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one is O=C(C1CCN(c2nccc(N3CCC(F)(F)C3=O)n2)CC1)N1OCC[C@H]1c1cncc(F)c1.
What is the InChIKey of 3,3-difluoro-1-[2-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one?
The InChIKey is FEYOKMGNLHYJOX-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23F3N6O3/c23-16-11-15(12-26-13-16)17-4-10-34-31(17)19(32)14-2-7-29(8-3-14)21-27-6-1-18(28-21)30-9-5-22(24,25)20(30)33/h1,6,11-14,17H,2-5,7-10H2/t17-/m0/s1.
What are the key properties of 3,3-difluoro-1-[2-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one?
3,3-difluoro-1-[2-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one has a molecular weight of 476.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[2-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 172581494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).