(4R)-3-[2-[(2R)-2-[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one

C22H22F3N5O2 — CID 158977159

IUPAC(4R)-3-[2-[(2R)-2-[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
SMILESC[C@H](Cc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1cc(F)c(-c2cnn(C)c2)cc1F
InChIInChI=1S/C22H22F3N5O2/c1-12(15-7-18(25)16(8-17(15)24)14-9-27-29(3)10-14)6-20-26-5-4-21(28-20)30-19(13(2)23)11-32-22(30)31/h4-5,7-10,12-13,19H,6,11H2,1-3H3/t12-,13+,19-/m1/s1
InChIKeyJONOJTZBWLMSPQ-QHRIQVFBSA-N
MW445.45 g/mol
LogP4.18
Rot. Bonds6

About (4R)-3-[2-[(2R)-2-[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one

(4R)-3-[2-[(2R)-2-[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one (PubChem CID 158977159) has the molecular formula C22H22F3N5O2 and a molecular weight of 445.45 g/mol. Its IUPAC name is (4R)-3-[2-[(2R)-2-[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[2-[(2R)-2-[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
PubChem CID158977159
Molecular FormulaC22H22F3N5O2
Molecular Weight445.45 g/mol
Exact Mass445.17
IUPAC Name(4R)-3-[2-[(2R)-2-[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
SMILESC[C@H](Cc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1cc(F)c(-c2cnn(C)c2)cc1F
InChIInChI=1S/C22H22F3N5O2/c1-12(15-7-18(25)16(8-17(15)24)14-9-27-29(3)10-14)6-20-26-5-4-21(28-20)30-19(13(2)23)11-32-22(30)31/h4-5,7-10,12-13,19H,6,11H2,1-3H3/t12-,13+,19-/m1/s1
InChIKeyJONOJTZBWLMSPQ-QHRIQVFBSA-N
XLogP4.18
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4R)-3-[2-[(2R)-2-[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-[(2R)-2-[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[2-[(2R)-2-[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one (CID 158977159) is (4R)-3-[2-[(2R)-2-[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[2-[(2R)-2-[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[2-[(2R)-2-[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one is C[C@H](Cc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1cc(F)c(-c2cnn(C)c2)cc1F.
What is the InChIKey of (4R)-3-[2-[(2R)-2-[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one?
The InChIKey is JONOJTZBWLMSPQ-QHRIQVFBSA-N. The full InChI is InChI=1S/C22H22F3N5O2/c1-12(15-7-18(25)16(8-17(15)24)14-9-27-29(3)10-14)6-20-26-5-4-21(28-20)30-19(13(2)23)11-32-22(30)31/h4-5,7-10,12-13,19H,6,11H2,1-3H3/t12-,13+,19-/m1/s1.
What are the key properties of (4R)-3-[2-[(2R)-2-[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one?
(4R)-3-[2-[(2R)-2-[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one has a molecular weight of 445.45 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-[(2R)-2-[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 158977159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).