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

C16H18N6O2 — CID 137018603

IUPAC3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3nnc(C4CC4)o3)c2[nH]1
InChIInChI=1S/C16H18N6O2/c23-13-7-12(9-3-5-17-6-4-9)22-14(19-13)11(8-18-22)16-21-20-15(24-16)10-1-2-10/h7-10,17H,1-6H2,(H,19,23)
InChIKeyOXICPWPWKWYJSM-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.42
Rot. Bonds3

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

3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018603) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018603
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3nnc(C4CC4)o3)c2[nH]1
InChIInChI=1S/C16H18N6O2/c23-13-7-12(9-3-5-17-6-4-9)22-14(19-13)11(8-18-22)16-21-20-15(24-16)10-1-2-10/h7-10,17H,1-6H2,(H,19,23)
InChIKeyOXICPWPWKWYJSM-UHFFFAOYSA-N
XLogP1.42
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

US10118930, Example 352
CID 137018395
US10118930, Example 353
CID 137018542
US10118930, Example 355
CID 137018549
US10118930, Example 289
CID 137018651
US10118930, Example 83
CID 137018276
US10118930, Example 82
CID 137018277
US10118930, Example 282
CID 137018426
US10118930, Example 321
CID 137018455
US10118930, Example 16
CID 137018461
US10118930, Example 358
CID 137018472
US10118930, Example 165
CID 137018489
US10118930, Example 173
CID 137018525

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018603) is 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C2CCNCC2)n2ncc(-c3nnc(C4CC4)o3)c2[nH]1.
What is the InChIKey of 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is OXICPWPWKWYJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c23-13-7-12(9-3-5-17-6-4-9)22-14(19-13)11(8-18-22)16-21-20-15(24-16)10-1-2-10/h7-10,17H,1-6H2,(H,19,23).
What are the key properties of 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 326.36 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).