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

C27H29FN8O3SSi — CID 67033360

IUPAC(4S)-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazolidin-2-one
SMILESCc1nc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5n[nH]c(COCC[Si](C)(C)C)n5)c(F)c4)c3n2)cs1
InChIInChI=1S/C27H29FN8O3SSi/c1-16-30-21(15-40-16)22-13-39-27(37)36(22)24-7-8-35-26(32-24)19(12-29-35)17-5-6-18(20(28)11-17)25-31-23(33-34-25)14-38-9-10-41(2,3)4/h5-8,11-12,15,22H,9-10,13-14H2,1-4H3,(H,31,33,34)/t22-/m1/s1
InChIKeyRGZPPFPSKQVOMS-JOCHJYFZSA-N
MW592.73 g/mol
LogP5.64
Rot. Bonds9

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

(4S)-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazolidin-2-one (PubChem CID 67033360) has the molecular formula C27H29FN8O3SSi and a molecular weight of 592.73 g/mol. Its IUPAC name is (4S)-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazolidin-2-one
PubChem CID67033360
Molecular FormulaC27H29FN8O3SSi
Molecular Weight592.73 g/mol
Exact Mass592.18
IUPAC Name(4S)-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazolidin-2-one
SMILESCc1nc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5n[nH]c(COCC[Si](C)(C)C)n5)c(F)c4)c3n2)cs1
InChIInChI=1S/C27H29FN8O3SSi/c1-16-30-21(15-40-16)22-13-39-27(37)36(22)24-7-8-35-26(32-24)19(12-29-35)17-5-6-18(20(28)11-17)25-31-23(33-34-25)14-38-9-10-41(2,3)4/h5-8,11-12,15,22H,9-10,13-14H2,1-4H3,(H,31,33,34)/t22-/m1/s1
InChIKeyRGZPPFPSKQVOMS-JOCHJYFZSA-N
XLogP5.64
TPSA123.42 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.73
LogP ≤ 55.64
H-Bond Donors ≤ 51
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-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-methyl-1,3-thiazol-4-yl)-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-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazolidin-2-one (CID 67033360) is (4S)-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazolidin-2-one is Cc1nc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5n[nH]c(COCC[Si](C)(C)C)n5)c(F)c4)c3n2)cs1.
What is the InChIKey of (4S)-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazolidin-2-one?
The InChIKey is RGZPPFPSKQVOMS-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H29FN8O3SSi/c1-16-30-21(15-40-16)22-13-39-27(37)36(22)24-7-8-35-26(32-24)19(12-29-35)17-5-6-18(20(28)11-17)25-31-23(33-34-25)14-38-9-10-41(2,3)4/h5-8,11-12,15,22H,9-10,13-14H2,1-4H3,(H,31,33,34)/t22-/m1/s1.
What are the key properties of (4S)-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazolidin-2-one?
(4S)-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazolidin-2-one has a molecular weight of 592.73 g/mol, XLogP of 5.64, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67033360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).