3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole

C14H15FN6O — CID 120838395

IUPAC3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCc1cc(C)n2ncc(-c3noc([C@H]4C[C@H](F)CN4)n3)c2n1
InChIInChI=1S/C14H15FN6O/c1-7-3-8(2)21-13(18-7)10(6-17-21)12-19-14(22-20-12)11-4-9(15)5-16-11/h3,6,9,11,16H,4-5H2,1-2H3/t9-,11+/m0/s1
InChIKeyRAGDLCQFAQMUBY-GXSJLCMTSA-N
MW302.31 g/mol
LogP1.77
Rot. Bonds2

About 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole

3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 120838395) has the molecular formula C14H15FN6O and a molecular weight of 302.31 g/mol. Its IUPAC name is 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID120838395
Molecular FormulaC14H15FN6O
Molecular Weight302.31 g/mol
Exact Mass302.13
IUPAC Name3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCc1cc(C)n2ncc(-c3noc([C@H]4C[C@H](F)CN4)n3)c2n1
InChIInChI=1S/C14H15FN6O/c1-7-3-8(2)21-13(18-7)10(6-17-21)12-19-14(22-20-12)11-4-9(15)5-16-11/h3,6,9,11,16H,4-5H2,1-2H3/t9-,11+/m0/s1
InChIKeyRAGDLCQFAQMUBY-GXSJLCMTSA-N
XLogP1.77
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole (CID 120838395) is 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole is Cc1cc(C)n2ncc(-c3noc([C@H]4C[C@H](F)CN4)n3)c2n1.
What is the InChIKey of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is RAGDLCQFAQMUBY-GXSJLCMTSA-N. The full InChI is InChI=1S/C14H15FN6O/c1-7-3-8(2)21-13(18-7)10(6-17-21)12-19-14(22-20-12)11-4-9(15)5-16-11/h3,6,9,11,16H,4-5H2,1-2H3/t9-,11+/m0/s1.
What are the key properties of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole?
3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 302.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 120838395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).