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

C15H15F3N6O2 — CID 137018651

IUPAC7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3nnc(CC(F)(F)F)o3)c2[nH]1
InChIInChI=1S/C15H15F3N6O2/c16-15(17,18)6-12-22-23-14(26-12)9-7-20-24-10(5-11(25)21-13(9)24)8-1-3-19-4-2-8/h5,7-8,19H,1-4,6H2,(H,21,25)
InChIKeyQYYAVZDMVWTWTB-UHFFFAOYSA-N
MW368.32 g/mol
LogP1.64
Rot. Bonds3

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

7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018651) has the molecular formula C15H15F3N6O2 and a molecular weight of 368.32 g/mol. Its IUPAC name is 7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018651
Molecular FormulaC15H15F3N6O2
Molecular Weight368.32 g/mol
Exact Mass368.12
IUPAC Name7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3nnc(CC(F)(F)F)o3)c2[nH]1
InChIInChI=1S/C15H15F3N6O2/c16-15(17,18)6-12-22-23-14(26-12)9-7-20-24-10(5-11(25)21-13(9)24)8-1-3-19-4-2-8/h5,7-8,19H,1-4,6H2,(H,21,25)
InChIKeyQYYAVZDMVWTWTB-UHFFFAOYSA-N
XLogP1.64
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

US10118930, Example 101
CID 137018280
US10118930, Example 352
CID 137018395
US10118930, Example 354
CID 137018397
US10118930, Example 353
CID 137018542
US10118930, Example 355
CID 137018549
US10118930, Example 103
CID 137018571
US10118930, Example 463
CID 137018607
US10118930, Example 192
CID 137018727
US10118930, Example 282
CID 137018426
US10118930, Example 16
CID 137018461
US10118930, Example 358
CID 137018472
US10118930, Example 165
CID 137018489

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018651) is 7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C2CCNCC2)n2ncc(-c3nnc(CC(F)(F)F)o3)c2[nH]1.
What is the InChIKey of 7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is QYYAVZDMVWTWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6O2/c16-15(17,18)6-12-22-23-14(26-12)9-7-20-24-10(5-11(25)21-13(9)24)8-1-3-19-4-2-8/h5,7-8,19H,1-4,6H2,(H,21,25).
What are the key properties of 7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 368.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).