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

C22H25FN6O4 — CID 172581520

IUPAC3-[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
SMILESCc1cncc([C@@H]2CCON2C(=O)C2CCN(c3ncc(F)c(N4CCOC4=O)n3)CC2)c1
InChIInChI=1S/C22H25FN6O4/c1-14-10-16(12-24-11-14)18-4-8-33-29(18)20(30)15-2-5-27(6-3-15)21-25-13-17(23)19(26-21)28-7-9-32-22(28)31/h10-13,15,18H,2-9H2,1H3/t18-/m0/s1
InChIKeyVRKMZTKRTMMYOZ-SFHVURJKSA-N
MW456.48 g/mol
LogP2.40
Rot. Bonds4

About 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

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 (PubChem CID 172581520) has the molecular formula C22H25FN6O4 and a molecular weight of 456.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID172581520
Molecular FormulaC22H25FN6O4
Molecular Weight456.48 g/mol
Exact Mass456.19
IUPAC Name3-[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
SMILESCc1cncc([C@@H]2CCON2C(=O)C2CCN(c3ncc(F)c(N4CCOC4=O)n3)CC2)c1
InChIInChI=1S/C22H25FN6O4/c1-14-10-16(12-24-11-14)18-4-8-33-29(18)20(30)15-2-5-27(6-3-15)21-25-13-17(23)19(26-21)28-7-9-32-22(28)31/h10-13,15,18H,2-9H2,1H3/t18-/m0/s1
InChIKeyVRKMZTKRTMMYOZ-SFHVURJKSA-N
XLogP2.40
TPSA100.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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-[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
2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide
CID 162376527
[(3S)-3-(5-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-piperidin-4-ylmethanone
CID 172581383
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
[(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
5-[(3S)-2-[1-(4-formylpyrimidin-2-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 170001085
2-methyl-5-[(3S)-2-(1-pyrimidin-2-ylpiperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 169090117
[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-(1-ethylpiperidin-4-yl)methanone
CID 155250733
6-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 175931809
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cncc([C@@H]2CCON2C(=O)C2CCN(c3ncc(F)c(N4CCOC4=O)n3)CC2)c1.
What is the InChIKey of 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?
The InChIKey is VRKMZTKRTMMYOZ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25FN6O4/c1-14-10-16(12-24-11-14)18-4-8-33-29(18)20(30)15-2-5-27(6-3-15)21-25-13-17(23)19(26-21)28-7-9-32-22(28)31/h10-13,15,18H,2-9H2,1H3/t18-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 456.48 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172581520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).