(4S)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(6-methyl-2-pyridinyl)-1,3-oxazolidin-2-one

C29H31FN8O3Si — CID 67034125

IUPAC(4S)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(6-methyl-2-pyridinyl)-1,3-oxazolidin-2-one
SMILESCc1cccc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5ncn(COCC[Si](C)(C)C)n5)c(F)c4)c3n2)n1
InChIInChI=1S/C29H31FN8O3Si/c1-19-6-5-7-24(33-19)25-16-41-29(39)38(25)26-10-11-37-28(34-26)22(15-32-37)20-8-9-21(23(30)14-20)27-31-17-36(35-27)18-40-12-13-42(2,3)4/h5-11,14-15,17,25H,12-13,16,18H2,1-4H3/t25-/m1/s1
InChIKeyKKTCZFFUMXRDCO-RUZDIDTESA-N
MW586.70 g/mol
LogP5.51
Rot. Bonds9

About (4S)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(6-methyl-2-pyridinyl)-1,3-oxazolidin-2-one

(4S)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(6-methyl-2-pyridinyl)-1,3-oxazolidin-2-one (PubChem CID 67034125) has the molecular formula C29H31FN8O3Si and a molecular weight of 586.70 g/mol. Its IUPAC name is (4S)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(6-methyl-2-pyridinyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(6-methyl-2-pyridinyl)-1,3-oxazolidin-2-one
PubChem CID67034125
Molecular FormulaC29H31FN8O3Si
Molecular Weight586.70 g/mol
Exact Mass586.23
IUPAC Name(4S)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(6-methyl-2-pyridinyl)-1,3-oxazolidin-2-one
SMILESCc1cccc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5ncn(COCC[Si](C)(C)C)n5)c(F)c4)c3n2)n1
InChIInChI=1S/C29H31FN8O3Si/c1-19-6-5-7-24(33-19)25-16-41-29(39)38(25)26-10-11-37-28(34-26)22(15-32-37)20-8-9-21(23(30)14-20)27-31-17-36(35-27)18-40-12-13-42(2,3)4/h5-11,14-15,17,25H,12-13,16,18H2,1-4H3/t25-/m1/s1
InChIKeyKKTCZFFUMXRDCO-RUZDIDTESA-N
XLogP5.51
TPSA112.56 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.70
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (4S)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(6-methyl-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-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(6-methyl-2-pyridinyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(6-methyl-2-pyridinyl)-1,3-oxazolidin-2-one (CID 67034125) is (4S)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(6-methyl-2-pyridinyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(6-methyl-2-pyridinyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(6-methyl-2-pyridinyl)-1,3-oxazolidin-2-one is Cc1cccc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5ncn(COCC[Si](C)(C)C)n5)c(F)c4)c3n2)n1.
What is the InChIKey of (4S)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(6-methyl-2-pyridinyl)-1,3-oxazolidin-2-one?
The InChIKey is KKTCZFFUMXRDCO-RUZDIDTESA-N. The full InChI is InChI=1S/C29H31FN8O3Si/c1-19-6-5-7-24(33-19)25-16-41-29(39)38(25)26-10-11-37-28(34-26)22(15-32-37)20-8-9-21(23(30)14-20)27-31-17-36(35-27)18-40-12-13-42(2,3)4/h5-11,14-15,17,25H,12-13,16,18H2,1-4H3/t25-/m1/s1.
What are the key properties of (4S)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(6-methyl-2-pyridinyl)-1,3-oxazolidin-2-one?
(4S)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(6-methyl-2-pyridinyl)-1,3-oxazolidin-2-one has a molecular weight of 586.70 g/mol, XLogP of 5.51, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(6-methyl-2-pyridinyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67034125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).