(4S)-4-(4-fluorophenyl)-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one

C30H31FN6O3Si — CID 67034549

IUPAC(4S)-4-(4-fluorophenyl)-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one
SMILESC[Si](C)(C)CCOCn1ccc(-c2ccc(-c3cnn4ccc(N5C(=O)OC[C@@H]5c5ccc(F)cc5)nc34)cc2)n1
InChIInChI=1S/C30H31FN6O3Si/c1-41(2,3)17-16-39-20-35-14-12-26(34-35)22-6-4-21(5-7-22)25-18-32-36-15-13-28(33-29(25)36)37-27(19-40-30(37)38)23-8-10-24(31)11-9-23/h4-15,18,27H,16-17,19-20H2,1-3H3/t27-/m1/s1
InChIKeyFJNWZNCQYCPWRG-HHHXNRCGSA-N
MW570.70 g/mol
LogP6.41
Rot. Bonds9

About (4S)-4-(4-fluorophenyl)-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one

(4S)-4-(4-fluorophenyl)-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one (PubChem CID 67034549) has the molecular formula C30H31FN6O3Si and a molecular weight of 570.70 g/mol. Its IUPAC name is (4S)-4-(4-fluorophenyl)-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(4-fluorophenyl)-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one
PubChem CID67034549
Molecular FormulaC30H31FN6O3Si
Molecular Weight570.70 g/mol
Exact Mass570.22
IUPAC Name(4S)-4-(4-fluorophenyl)-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one
SMILESC[Si](C)(C)CCOCn1ccc(-c2ccc(-c3cnn4ccc(N5C(=O)OC[C@@H]5c5ccc(F)cc5)nc34)cc2)n1
InChIInChI=1S/C30H31FN6O3Si/c1-41(2,3)17-16-39-20-35-14-12-26(34-35)22-6-4-21(5-7-22)25-18-32-36-15-13-28(33-29(25)36)37-27(19-40-30(37)38)23-8-10-24(31)11-9-23/h4-15,18,27H,16-17,19-20H2,1-3H3/t27-/m1/s1
InChIKeyFJNWZNCQYCPWRG-HHHXNRCGSA-N
XLogP6.41
TPSA86.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.70
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-fluorophenyl)-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(4-fluorophenyl)-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one (CID 67034549) is (4S)-4-(4-fluorophenyl)-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(4-fluorophenyl)-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(4-fluorophenyl)-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one is C[Si](C)(C)CCOCn1ccc(-c2ccc(-c3cnn4ccc(N5C(=O)OC[C@@H]5c5ccc(F)cc5)nc34)cc2)n1.
What is the InChIKey of (4S)-4-(4-fluorophenyl)-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one?
The InChIKey is FJNWZNCQYCPWRG-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H31FN6O3Si/c1-41(2,3)17-16-39-20-35-14-12-26(34-35)22-6-4-21(5-7-22)25-18-32-36-15-13-28(33-29(25)36)37-27(19-40-30(37)38)23-8-10-24(31)11-9-23/h4-15,18,27H,16-17,19-20H2,1-3H3/t27-/m1/s1.
What are the key properties of (4S)-4-(4-fluorophenyl)-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one?
(4S)-4-(4-fluorophenyl)-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one has a molecular weight of 570.70 g/mol, XLogP of 6.41, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-fluorophenyl)-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67034549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).