(4S)-4-(5-fluoro-2-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

C22H14F2N8O2 — CID 67034414

IUPAC(4S)-4-(5-fluoro-2-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
SMILESO=C1OC[C@H](c2ccc(F)cn2)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)c(F)c3)c2n1
InChIInChI=1S/C22H14F2N8O2/c23-13-2-4-17(25-8-13)18-10-34-22(33)32(18)19-5-6-31-21(29-19)15(9-28-31)12-1-3-14(16(24)7-12)20-26-11-27-30-20/h1-9,11,18H,10H2,(H,26,27,30)/t18-/m1/s1
InChIKeyCYVOZBOWLWUVSD-GOSISDBHSA-N
MW460.40 g/mol
LogP3.55
Rot. Bonds4

About (4S)-4-(5-fluoro-2-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-(5-fluoro-2-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 67034414) has the molecular formula C22H14F2N8O2 and a molecular weight of 460.40 g/mol. Its IUPAC name is (4S)-4-(5-fluoro-2-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-(5-fluoro-2-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 CID67034414
Molecular FormulaC22H14F2N8O2
Molecular Weight460.40 g/mol
Exact Mass460.12
IUPAC Name(4S)-4-(5-fluoro-2-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
SMILESO=C1OC[C@H](c2ccc(F)cn2)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)c(F)c3)c2n1
InChIInChI=1S/C22H14F2N8O2/c23-13-2-4-17(25-8-13)18-10-34-22(33)32(18)19-5-6-31-21(29-19)15(9-28-31)12-1-3-14(16(24)7-12)20-26-11-27-30-20/h1-9,11,18H,10H2,(H,26,27,30)/t18-/m1/s1
InChIKeyCYVOZBOWLWUVSD-GOSISDBHSA-N
XLogP3.55
TPSA114.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4S)-4-(5-fluoro-2-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

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 (4S)-4-(5-fluoro-2-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-(5-fluoro-2-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 67034414) is (4S)-4-(5-fluoro-2-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-(5-fluoro-2-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-(5-fluoro-2-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 O=C1OC[C@H](c2ccc(F)cn2)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)c(F)c3)c2n1.
What is the InChIKey of (4S)-4-(5-fluoro-2-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 CYVOZBOWLWUVSD-GOSISDBHSA-N. The full InChI is InChI=1S/C22H14F2N8O2/c23-13-2-4-17(25-8-13)18-10-34-22(33)32(18)19-5-6-31-21(29-19)15(9-28-31)12-1-3-14(16(24)7-12)20-26-11-27-30-20/h1-9,11,18H,10H2,(H,26,27,30)/t18-/m1/s1.
What are the key properties of (4S)-4-(5-fluoro-2-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-(5-fluoro-2-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 460.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(5-fluoro-2-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 67034414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).