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

C22H24F2N6O4 — CID 172581466

IUPAC3-[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
SMILESCc1ncc([C@@H]2CCON2C(=O)C2CCN(c3ncc(F)c(N4CCOC4=O)n3)CC2)cc1F
InChIInChI=1S/C22H24F2N6O4/c1-13-16(23)10-15(11-25-13)18-4-8-34-30(18)20(31)14-2-5-28(6-3-14)21-26-12-17(24)19(27-21)29-7-9-33-22(29)32/h10-12,14,18H,2-9H2,1H3/t18-/m0/s1
InChIKeyFKCDGWLWSSVEJI-SFHVURJKSA-N
MW474.47 g/mol
LogP2.54
Rot. Bonds4

About 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

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 (PubChem CID 172581466) has the molecular formula C22H24F2N6O4 and a molecular weight of 474.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID172581466
Molecular FormulaC22H24F2N6O4
Molecular Weight474.47 g/mol
Exact Mass474.18
IUPAC Name3-[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
SMILESCc1ncc([C@@H]2CCON2C(=O)C2CCN(c3ncc(F)c(N4CCOC4=O)n3)CC2)cc1F
InChIInChI=1S/C22H24F2N6O4/c1-13-16(23)10-15(11-25-13)18-4-8-34-30(18)20(31)14-2-5-28(6-3-14)21-26-12-17(24)19(27-21)29-7-9-33-22(29)32/h10-12,14,18H,2-9H2,1H3/t18-/m0/s1
InChIKeyFKCDGWLWSSVEJI-SFHVURJKSA-N
XLogP2.54
TPSA100.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.47
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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
(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid
CID 129188798
2-methyl-5-[(3S)-2-(1-pyrimidin-2-ylpiperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 169090117
2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide
CID 162376527
3-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one
CID 86730264
[4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone
CID 172582043
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
[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-(1-ethylpiperidin-4-yl)methanone
CID 155250733
[4-[(5-fluoro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone
CID 172581704

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ncc([C@@H]2CCON2C(=O)C2CCN(c3ncc(F)c(N4CCOC4=O)n3)CC2)cc1F.
What is the InChIKey of 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?
The InChIKey is FKCDGWLWSSVEJI-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24F2N6O4/c1-13-16(23)10-15(11-25-13)18-4-8-34-30(18)20(31)14-2-5-28(6-3-14)21-26-12-17(24)19(27-21)29-7-9-33-22(29)32/h10-12,14,18H,2-9H2,1H3/t18-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 474.47 g/mol, XLogP of 2.54, 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-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 172581466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).