1-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2,5-dione

C22H18FN5O4 — CID 127039701

IUPAC1-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H18FN5O4/c23-17-9-15(26-12-16(32-22(26)31)13-27-20(29)6-7-21(27)30)4-5-19(17)28-11-14(10-25-28)18-3-1-2-8-24-18/h1-5,8-11,16H,6-7,12-13H2/t16-/m1/s1
InChIKeyLNMKMUSJVSPOPI-MRXNPFEDSA-N
MW435.42 g/mol
LogP2.55
Rot. Bonds5

About 1-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2,5-dione

1-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 127039701) has the molecular formula C22H18FN5O4 and a molecular weight of 435.42 g/mol. Its IUPAC name is 1-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2,5-dione
PubChem CID127039701
Molecular FormulaC22H18FN5O4
Molecular Weight435.42 g/mol
Exact Mass435.13
IUPAC Name1-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H18FN5O4/c23-17-9-15(26-12-16(32-22(26)31)13-27-20(29)6-7-21(27)30)4-5-19(17)28-11-14(10-25-28)18-3-1-2-8-24-18/h1-5,8-11,16H,6-7,12-13H2/t16-/m1/s1
InChIKeyLNMKMUSJVSPOPI-MRXNPFEDSA-N
XLogP2.55
TPSA97.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.42
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2,5-dione with MolForge

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Related Compounds

(5R)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 127042021
(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[2-hydroxyethyl(methyl)amino]methyl]-1,3-oxazolidin-2-one
CID 127037766
N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;phosphono dihydrogen phosphate
CID 175294774
N-[[(5S)-3-[3-fluoro-4-(4-phenylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90168312
N-[[(5S)-3-(3-fluoro-4-hydrazinylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;2-pyridin-4-ylpropanedial
CID 159085012
N-[[(5S)-3-[3-fluoro-4-(4-pyridin-3-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 122205194
(5R)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 145494478
N-[[(5S)-3-[4-[4-(4-chlorophenyl)pyrazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 71477789
3-[3-fluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-(triazol-2-ylmethyl)-1,3-oxazolidin-2-one
CID 135148294
(5R)-3-[3-fluoro-4-[4-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 71054929
3-[3-fluoro-4-(triazol-1-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 154456896
(5R)-3-[3-fluoro-4-(1,4-thiazepan-4-yl)phenyl]-5-(triazol-2-ylmethyl)-1,3-oxazolidin-2-one
CID 126484479

Frequently Asked Questions

What is the IUPAC name of 1-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2,5-dione (CID 127039701) is 1-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1C[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1.
What is the InChIKey of 1-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is LNMKMUSJVSPOPI-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H18FN5O4/c23-17-9-15(26-12-16(32-22(26)31)13-27-20(29)6-7-21(27)30)4-5-19(17)28-11-14(10-25-28)18-3-1-2-8-24-18/h1-5,8-11,16H,6-7,12-13H2/t16-/m1/s1.
What are the key properties of 1-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2,5-dione?
1-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 435.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 127039701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).