5-[[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]-3-methyl-1,2-oxazole

C16H12FN5OS — CID 16603803

IUPAC5-[[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CSc2ncnc3c2cnn3-c2ccc(F)cc2)on1
InChIInChI=1S/C16H12FN5OS/c1-10-6-13(23-21-10)8-24-16-14-7-20-22(15(14)18-9-19-16)12-4-2-11(17)3-5-12/h2-7,9H,8H2,1H3
InChIKeyRYQDJTXFBCVKCX-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.54
Rot. Bonds4

About 5-[[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]-3-methyl-1,2-oxazole

5-[[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]-3-methyl-1,2-oxazole (PubChem CID 16603803) has the molecular formula C16H12FN5OS and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-[[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]-3-methyl-1,2-oxazole
PubChem CID16603803
Molecular FormulaC16H12FN5OS
Molecular Weight341.37 g/mol
Exact Mass341.07
IUPAC Name5-[[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CSc2ncnc3c2cnn3-c2ccc(F)cc2)on1
InChIInChI=1S/C16H12FN5OS/c1-10-6-13(23-21-10)8-24-16-14-7-20-22(15(14)18-9-19-16)12-4-2-11(17)3-5-12/h2-7,9H,8H2,1H3
InChIKeyRYQDJTXFBCVKCX-UHFFFAOYSA-N
XLogP3.54
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]-3-methyl-1,2-oxazole (CID 16603803) is 5-[[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]-3-methyl-1,2-oxazole is Cc1cc(CSc2ncnc3c2cnn3-c2ccc(F)cc2)on1.
What is the InChIKey of 5-[[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]-3-methyl-1,2-oxazole?
The InChIKey is RYQDJTXFBCVKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5OS/c1-10-6-13(23-21-10)8-24-16-14-7-20-22(15(14)18-9-19-16)12-4-2-11(17)3-5-12/h2-7,9H,8H2,1H3.
What are the key properties of 5-[[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]-3-methyl-1,2-oxazole?
5-[[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]-3-methyl-1,2-oxazole has a molecular weight of 341.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 16603803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).