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

C23H16F2N8O2 — CID 67034234

IUPAC(4S)-3-[3-[3-fluoro-4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one
SMILESCn1cnc(-c2ccc(-c3cnn4ccc(N5C(=O)OC[C@@H]5c5ccc(F)cn5)nc34)cc2F)n1
InChIInChI=1S/C23H16F2N8O2/c1-31-12-27-21(30-31)15-4-2-13(8-17(15)25)16-10-28-32-7-6-20(29-22(16)32)33-19(11-35-23(33)34)18-5-3-14(24)9-26-18/h2-10,12,19H,11H2,1H3/t19-/m1/s1
InChIKeyWZJYZPZIYNSOJD-LJQANCHMSA-N
MW474.43 g/mol
LogP3.56
Rot. Bonds4

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

(4S)-3-[3-[3-fluoro-4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one (PubChem CID 67034234) has the molecular formula C23H16F2N8O2 and a molecular weight of 474.43 g/mol. Its IUPAC name is (4S)-3-[3-[3-fluoro-4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[3-[3-fluoro-4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one
PubChem CID67034234
Molecular FormulaC23H16F2N8O2
Molecular Weight474.43 g/mol
Exact Mass474.14
IUPAC Name(4S)-3-[3-[3-fluoro-4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one
SMILESCn1cnc(-c2ccc(-c3cnn4ccc(N5C(=O)OC[C@@H]5c5ccc(F)cn5)nc34)cc2F)n1
InChIInChI=1S/C23H16F2N8O2/c1-31-12-27-21(30-31)15-4-2-13(8-17(15)25)16-10-28-32-7-6-20(29-22(16)32)33-19(11-35-23(33)34)18-5-3-14(24)9-26-18/h2-10,12,19H,11H2,1H3/t19-/m1/s1
InChIKeyWZJYZPZIYNSOJD-LJQANCHMSA-N
XLogP3.56
TPSA103.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.43
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[3-[3-fluoro-4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[3-[3-fluoro-4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one (CID 67034234) is (4S)-3-[3-[3-fluoro-4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[3-[3-fluoro-4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[3-[3-fluoro-4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one is Cn1cnc(-c2ccc(-c3cnn4ccc(N5C(=O)OC[C@@H]5c5ccc(F)cn5)nc34)cc2F)n1.
What is the InChIKey of (4S)-3-[3-[3-fluoro-4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one?
The InChIKey is WZJYZPZIYNSOJD-LJQANCHMSA-N. The full InChI is InChI=1S/C23H16F2N8O2/c1-31-12-27-21(30-31)15-4-2-13(8-17(15)25)16-10-28-32-7-6-20(29-22(16)32)33-19(11-35-23(33)34)18-5-3-14(24)9-26-18/h2-10,12,19H,11H2,1H3/t19-/m1/s1.
What are the key properties of (4S)-3-[3-[3-fluoro-4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one?
(4S)-3-[3-[3-fluoro-4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one has a molecular weight of 474.43 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[3-[3-fluoro-4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67034234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).