(4S)-4-(1-ethyl-2-oxo-3-pyridinyl)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one

C24H19FN8O3 — CID 67034466

IUPAC(4S)-4-(1-ethyl-2-oxo-3-pyridinyl)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one
SMILESCCn1cccc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5ncn[nH]5)c(F)c4)c3n2)c1=O
InChIInChI=1S/C24H19FN8O3/c1-2-31-8-3-4-16(23(31)34)19-12-36-24(35)33(19)20-7-9-32-22(29-20)17(11-28-32)14-5-6-15(18(25)10-14)21-26-13-27-30-21/h3-11,13,19H,2,12H2,1H3,(H,26,27,30)/t19-/m1/s1
InChIKeyJHVINVUSGMDWTL-LJQANCHMSA-N
MW486.47 g/mol
LogP3.20
Rot. Bonds5

About (4S)-4-(1-ethyl-2-oxo-3-pyridinyl)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one

(4S)-4-(1-ethyl-2-oxo-3-pyridinyl)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one (PubChem CID 67034466) has the molecular formula C24H19FN8O3 and a molecular weight of 486.47 g/mol. Its IUPAC name is (4S)-4-(1-ethyl-2-oxo-3-pyridinyl)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(1-ethyl-2-oxo-3-pyridinyl)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one
PubChem CID67034466
Molecular FormulaC24H19FN8O3
Molecular Weight486.47 g/mol
Exact Mass486.16
IUPAC Name(4S)-4-(1-ethyl-2-oxo-3-pyridinyl)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one
SMILESCCn1cccc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5ncn[nH]5)c(F)c4)c3n2)c1=O
InChIInChI=1S/C24H19FN8O3/c1-2-31-8-3-4-16(23(31)34)19-12-36-24(35)33(19)20-7-9-32-22(29-20)17(11-28-32)14-5-6-15(18(25)10-14)21-26-13-27-30-21/h3-11,13,19H,2,12H2,1H3,(H,26,27,30)/t19-/m1/s1
InChIKeyJHVINVUSGMDWTL-LJQANCHMSA-N
XLogP3.20
TPSA123.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (4S)-4-(1-ethyl-2-oxo-3-pyridinyl)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1-ethyl-2-oxo-3-pyridinyl)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(1-ethyl-2-oxo-3-pyridinyl)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one (CID 67034466) is (4S)-4-(1-ethyl-2-oxo-3-pyridinyl)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(1-ethyl-2-oxo-3-pyridinyl)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(1-ethyl-2-oxo-3-pyridinyl)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one is CCn1cccc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5ncn[nH]5)c(F)c4)c3n2)c1=O.
What is the InChIKey of (4S)-4-(1-ethyl-2-oxo-3-pyridinyl)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one?
The InChIKey is JHVINVUSGMDWTL-LJQANCHMSA-N. The full InChI is InChI=1S/C24H19FN8O3/c1-2-31-8-3-4-16(23(31)34)19-12-36-24(35)33(19)20-7-9-32-22(29-20)17(11-28-32)14-5-6-15(18(25)10-14)21-26-13-27-30-21/h3-11,13,19H,2,12H2,1H3,(H,26,27,30)/t19-/m1/s1.
What are the key properties of (4S)-4-(1-ethyl-2-oxo-3-pyridinyl)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one?
(4S)-4-(1-ethyl-2-oxo-3-pyridinyl)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one has a molecular weight of 486.47 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1-ethyl-2-oxo-3-pyridinyl)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67034466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).