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

C19H26N6O2 — CID 137018743

IUPAC3-(5-hexyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCCCCCc1nc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)no1
InChIInChI=1S/C19H26N6O2/c1-2-3-4-5-6-17-23-18(24-27-17)14-12-21-25-15(11-16(26)22-19(14)25)13-7-9-20-10-8-13/h11-13,20H,2-10H2,1H3,(H,22,26)
InChIKeyPNAJPSCLUUFKKF-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.66
Rot. Bonds7

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

3-(5-hexyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018743) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-(5-hexyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(5-hexyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018743
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name3-(5-hexyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCCCCCc1nc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)no1
InChIInChI=1S/C19H26N6O2/c1-2-3-4-5-6-17-23-18(24-27-17)14-12-21-25-15(11-16(26)22-19(14)25)13-7-9-20-10-8-13/h11-13,20H,2-10H2,1H3,(H,22,26)
InChIKeyPNAJPSCLUUFKKF-UHFFFAOYSA-N
XLogP2.66
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

US10118930, Example 388
CID 137018434
US10118930, Example 391
CID 137018475
US10118930, Example 393
CID 137018596
US10118930, Example 392
CID 137018681
US10118930, Example 192
CID 137018727
US10118930, Example 390
CID 137018754
US10118930, Example 105
CID 137018264
US10118930, Example 107
CID 137018266
US10118930, Example 108
CID 137018269
US10118930, Example 262
CID 137018310
US10118930, Example 257
CID 137018314
US10118930, Example 387
CID 137018344

Frequently Asked Questions

What is the IUPAC name of 3-(5-hexyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(5-hexyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018743) is 3-(5-hexyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(5-hexyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(5-hexyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CCCCCCc1nc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)no1.
What is the InChIKey of 3-(5-hexyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is PNAJPSCLUUFKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-2-3-4-5-6-17-23-18(24-27-17)14-12-21-25-15(11-16(26)22-19(14)25)13-7-9-20-10-8-13/h11-13,20H,2-10H2,1H3,(H,22,26).
What are the key properties of 3-(5-hexyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(5-hexyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 370.46 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hexyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).