(4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one

C22H19F4N5O2 — CID 90452095

IUPAC(4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESCc1cc(-c2cc(F)c([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4CF)n3)cc2F)ccn1
InChIInChI=1S/C22H19F4N5O2/c1-11-5-13(3-4-27-11)16-7-17(24)15(6-18(16)25)12(2)29-21-28-9-19(26)20(30-21)31-14(8-23)10-33-22(31)32/h3-7,9,12,14H,8,10H2,1-2H3,(H,28,29,30)/t12-,14-/m0/s1
InChIKeyQUJSQKQTOGJSQE-JSGCOSHPSA-N
MW461.42 g/mol
LogP4.73
Rot. Bonds6

About (4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one

(4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 90452095) has the molecular formula C22H19F4N5O2 and a molecular weight of 461.42 g/mol. Its IUPAC name is (4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
PubChem CID90452095
Molecular FormulaC22H19F4N5O2
Molecular Weight461.42 g/mol
Exact Mass461.15
IUPAC Name(4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESCc1cc(-c2cc(F)c([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4CF)n3)cc2F)ccn1
InChIInChI=1S/C22H19F4N5O2/c1-11-5-13(3-4-27-11)16-7-17(24)15(6-18(16)25)12(2)29-21-28-9-19(26)20(30-21)31-14(8-23)10-33-22(31)32/h3-7,9,12,14H,8,10H2,1-2H3,(H,28,29,30)/t12-,14-/m0/s1
InChIKeyQUJSQKQTOGJSQE-JSGCOSHPSA-N
XLogP4.73
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one (CID 90452095) is (4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one is Cc1cc(-c2cc(F)c([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4CF)n3)cc2F)ccn1.
What is the InChIKey of (4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is QUJSQKQTOGJSQE-JSGCOSHPSA-N. The full InChI is InChI=1S/C22H19F4N5O2/c1-11-5-13(3-4-27-11)16-7-17(24)15(6-18(16)25)12(2)29-21-28-9-19(26)20(30-21)31-14(8-23)10-33-22(31)32/h3-7,9,12,14H,8,10H2,1-2H3,(H,28,29,30)/t12-,14-/m0/s1.
What are the key properties of (4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?
(4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one has a molecular weight of 461.42 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90452095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).