(4S)-3-[5-fluoro-2-[[(1S)-1-[3-fluoro-4-(piperidine-1-carbonyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C24H29F2N5O3 — CID 71542094

IUPAC(4S)-3-[5-fluoro-2-[[(1S)-1-[3-fluoro-4-(piperidine-1-carbonyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(C(=O)N3CCCCC3)c(F)c2)ncc1F
InChIInChI=1S/C24H29F2N5O3/c1-14(2)20-13-34-24(33)31(20)21-19(26)12-27-23(29-21)28-15(3)16-7-8-17(18(25)11-16)22(32)30-9-5-4-6-10-30/h7-8,11-12,14-15,20H,4-6,9-10,13H2,1-3H3,(H,27,28,29)/t15-,20+/m0/s1
InChIKeySXBNORYEQFOLBM-MGPUTAFESA-N
MW473.52 g/mol
LogP4.54
Rot. Bonds6

About (4S)-3-[5-fluoro-2-[[(1S)-1-[3-fluoro-4-(piperidine-1-carbonyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[5-fluoro-2-[[(1S)-1-[3-fluoro-4-(piperidine-1-carbonyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 71542094) has the molecular formula C24H29F2N5O3 and a molecular weight of 473.52 g/mol. Its IUPAC name is (4S)-3-[5-fluoro-2-[[(1S)-1-[3-fluoro-4-(piperidine-1-carbonyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[5-fluoro-2-[[(1S)-1-[3-fluoro-4-(piperidine-1-carbonyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID71542094
Molecular FormulaC24H29F2N5O3
Molecular Weight473.52 g/mol
Exact Mass473.22
IUPAC Name(4S)-3-[5-fluoro-2-[[(1S)-1-[3-fluoro-4-(piperidine-1-carbonyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(C(=O)N3CCCCC3)c(F)c2)ncc1F
InChIInChI=1S/C24H29F2N5O3/c1-14(2)20-13-34-24(33)31(20)21-19(26)12-27-23(29-21)28-15(3)16-7-8-17(18(25)11-16)22(32)30-9-5-4-6-10-30/h7-8,11-12,14-15,20H,4-6,9-10,13H2,1-3H3,(H,27,28,29)/t15-,20+/m0/s1
InChIKeySXBNORYEQFOLBM-MGPUTAFESA-N
XLogP4.54
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-3-[5-fluoro-2-[[(1S)-1-[3-fluoro-4-(piperidine-1-carbonyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

N-Cyclopropyl-4-Methyl-3-[8-Methyl-7-Oxo-2-(Tetrahydro-2h-Pyran-4-Ylamino)-7,8-Dihydropyrido[2,3-D]pyrimidin-6-Yl]benzamide
CID 25016226
4-[4-Amino-5-(2-methylbenzoyl)pyrimidin-2-ylamino]piperidine-1-carboxylic Acid Ethyl Ester
CID 10045499
4-[4-Amino-5-(2-fluorobenzoyl)pyrimidin-2-ylamino]piperidine-1-carboxylic acid ethyl ester
CID 10249602
(4s)-3-(2-{[(1s)-1-Phenylethyl]amino}pyrimidin-4-Yl)-4-(Propan-2-Yl)-1,3-Oxazolidin-2-One
CID 89490055
2,6-difluoro-N-[3-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 16275811
2-fluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 23609657
2,6-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 23609658
N-(cis-4-{[4-(Dimethylamino)-5-methylpyrimidin-2-yl]amino}-cyclohexyl)-3,4-difluorobenzamide
CID 9821717
6-(2,4-Difluorobenzyl)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 20626917
N-((cis)-4-(4-(dimethylamino)-5-methylpyrimidin-2-ylamino)cyclohexyl)-4-methylbenzamide
CID 23027035
N-((cis)-4-(4-(dimethylamino)-5-methylpyrimidin-2-ylamino)cyclohexyl)-4-fluorobenzamide
CID 23027527
6-(2-Fluorobenzyl)-8-methyl-2-(tetrahydro-2h-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
CID 23434654

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[5-fluoro-2-[[(1S)-1-[3-fluoro-4-(piperidine-1-carbonyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[5-fluoro-2-[[(1S)-1-[3-fluoro-4-(piperidine-1-carbonyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 71542094) is (4S)-3-[5-fluoro-2-[[(1S)-1-[3-fluoro-4-(piperidine-1-carbonyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[5-fluoro-2-[[(1S)-1-[3-fluoro-4-(piperidine-1-carbonyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[5-fluoro-2-[[(1S)-1-[3-fluoro-4-(piperidine-1-carbonyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(C(=O)N3CCCCC3)c(F)c2)ncc1F.
What is the InChIKey of (4S)-3-[5-fluoro-2-[[(1S)-1-[3-fluoro-4-(piperidine-1-carbonyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is SXBNORYEQFOLBM-MGPUTAFESA-N. The full InChI is InChI=1S/C24H29F2N5O3/c1-14(2)20-13-34-24(33)31(20)21-19(26)12-27-23(29-21)28-15(3)16-7-8-17(18(25)11-16)22(32)30-9-5-4-6-10-30/h7-8,11-12,14-15,20H,4-6,9-10,13H2,1-3H3,(H,27,28,29)/t15-,20+/m0/s1.
What are the key properties of (4S)-3-[5-fluoro-2-[[(1S)-1-[3-fluoro-4-(piperidine-1-carbonyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[5-fluoro-2-[[(1S)-1-[3-fluoro-4-(piperidine-1-carbonyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 473.52 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[5-fluoro-2-[[(1S)-1-[3-fluoro-4-(piperidine-1-carbonyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71542094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).