(4S)-4-(3-fluoro-6-methyl-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

C23H16F2N8O2 — CID 67034708

IUPAC(4S)-4-(3-fluoro-6-methyl-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
SMILESCc1ccc(F)c([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5ncn[nH]5)c(F)c4)c3n2)n1
InChIInChI=1S/C23H16F2N8O2/c1-12-2-5-16(24)20(29-12)18-10-35-23(34)33(18)19-6-7-32-22(30-19)15(9-28-32)13-3-4-14(17(25)8-13)21-26-11-27-31-21/h2-9,11,18H,10H2,1H3,(H,26,27,31)/t18-/m1/s1
InChIKeyOUTALUBDMLULSQ-GOSISDBHSA-N
MW474.43 g/mol
LogP3.86
Rot. Bonds4

About (4S)-4-(3-fluoro-6-methyl-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-(3-fluoro-6-methyl-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 67034708) has the molecular formula C23H16F2N8O2 and a molecular weight of 474.43 g/mol. Its IUPAC name is (4S)-4-(3-fluoro-6-methyl-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-(3-fluoro-6-methyl-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 CID67034708
Molecular FormulaC23H16F2N8O2
Molecular Weight474.43 g/mol
Exact Mass474.14
IUPAC Name(4S)-4-(3-fluoro-6-methyl-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
SMILESCc1ccc(F)c([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5ncn[nH]5)c(F)c4)c3n2)n1
InChIInChI=1S/C23H16F2N8O2/c1-12-2-5-16(24)20(29-12)18-10-35-23(34)33(18)19-6-7-32-22(30-19)15(9-28-32)13-3-4-14(17(25)8-13)21-26-11-27-31-21/h2-9,11,18H,10H2,1H3,(H,26,27,31)/t18-/m1/s1
InChIKeyOUTALUBDMLULSQ-GOSISDBHSA-N
XLogP3.86
TPSA114.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4S)-4-(3-fluoro-6-methyl-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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-fluoro-6-methyl-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-(3-fluoro-6-methyl-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 67034708) is (4S)-4-(3-fluoro-6-methyl-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-(3-fluoro-6-methyl-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-(3-fluoro-6-methyl-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 Cc1ccc(F)c([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5ncn[nH]5)c(F)c4)c3n2)n1.
What is the InChIKey of (4S)-4-(3-fluoro-6-methyl-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 OUTALUBDMLULSQ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H16F2N8O2/c1-12-2-5-16(24)20(29-12)18-10-35-23(34)33(18)19-6-7-32-22(30-19)15(9-28-32)13-3-4-14(17(25)8-13)21-26-11-27-31-21/h2-9,11,18H,10H2,1H3,(H,26,27,31)/t18-/m1/s1.
What are the key properties of (4S)-4-(3-fluoro-6-methyl-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-(3-fluoro-6-methyl-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 474.43 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-fluoro-6-methyl-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 67034708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).