5-[4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole

C13H14FN7O — CID 126851859

IUPAC5-[4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CC(F)CN2c2ncnc3c2cnn3C)n1
InChIInChI=1S/C13H14FN7O/c1-7-18-13(22-19-7)10-3-8(14)5-21(10)12-9-4-17-20(2)11(9)15-6-16-12/h4,6,8,10H,3,5H2,1-2H3
InChIKeyKSLYYFJDADIVRD-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.34
Rot. Bonds2

About 5-[4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole

5-[4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 126851859) has the molecular formula C13H14FN7O and a molecular weight of 303.30 g/mol. Its IUPAC name is 5-[4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID126851859
Molecular FormulaC13H14FN7O
Molecular Weight303.30 g/mol
Exact Mass303.12
IUPAC Name5-[4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CC(F)CN2c2ncnc3c2cnn3C)n1
InChIInChI=1S/C13H14FN7O/c1-7-18-13(22-19-7)10-3-8(14)5-21(10)12-9-4-17-20(2)11(9)15-6-16-12/h4,6,8,10H,3,5H2,1-2H3
InChIKeyKSLYYFJDADIVRD-UHFFFAOYSA-N
XLogP1.34
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole (CID 126851859) is 5-[4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CC(F)CN2c2ncnc3c2cnn3C)n1.
What is the InChIKey of 5-[4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is KSLYYFJDADIVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN7O/c1-7-18-13(22-19-7)10-3-8(14)5-21(10)12-9-4-17-20(2)11(9)15-6-16-12/h4,6,8,10H,3,5H2,1-2H3.
What are the key properties of 5-[4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
5-[4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 303.30 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 126851859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).