2-methyl-7-piperidin-4-yl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one

C15H15F3N6O2 — CID 137018348

IUPAC2-methyl-7-piperidin-4-yl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nc(C(F)(F)F)no1
InChIInChI=1S/C15H15F3N6O2/c1-7-11(13-21-14(23-26-13)15(16,17)18)12-20-10(25)6-9(24(12)22-7)8-2-4-19-5-3-8/h6,8,19H,2-5H2,1H3,(H,20,25)
InChIKeyIJMOCCTYELKXOZ-UHFFFAOYSA-N
MW368.32 g/mol
LogP1.87
Rot. Bonds2

About 2-methyl-7-piperidin-4-yl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one

2-methyl-7-piperidin-4-yl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018348) has the molecular formula C15H15F3N6O2 and a molecular weight of 368.32 g/mol. Its IUPAC name is 2-methyl-7-piperidin-4-yl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-7-piperidin-4-yl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018348
Molecular FormulaC15H15F3N6O2
Molecular Weight368.32 g/mol
Exact Mass368.12
IUPAC Name2-methyl-7-piperidin-4-yl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nc(C(F)(F)F)no1
InChIInChI=1S/C15H15F3N6O2/c1-7-11(13-21-14(23-26-13)15(16,17)18)12-20-10(25)6-9(24(12)22-7)8-2-4-19-5-3-8/h6,8,19H,2-5H2,1H3,(H,20,25)
InChIKeyIJMOCCTYELKXOZ-UHFFFAOYSA-N
XLogP1.87
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-piperidin-4-yl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-7-piperidin-4-yl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018348) is 2-methyl-7-piperidin-4-yl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-7-piperidin-4-yl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-7-piperidin-4-yl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nc(C(F)(F)F)no1.
What is the InChIKey of 2-methyl-7-piperidin-4-yl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is IJMOCCTYELKXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6O2/c1-7-11(13-21-14(23-26-13)15(16,17)18)12-20-10(25)6-9(24(12)22-7)8-2-4-19-5-3-8/h6,8,19H,2-5H2,1H3,(H,20,25).
What are the key properties of 2-methyl-7-piperidin-4-yl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
2-methyl-7-piperidin-4-yl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 368.32 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-piperidin-4-yl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).