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

C18H17N7O2 — CID 137018500

IUPAC7-piperidin-4-yl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3nnc(-c4ccncc4)o3)c2[nH]1
InChIInChI=1S/C18H17N7O2/c26-15-9-14(11-1-5-19-6-2-11)25-16(22-15)13(10-21-25)18-24-23-17(27-18)12-3-7-20-8-4-12/h3-4,7-11,19H,1-2,5-6H2,(H,22,26)
InChIKeyOSEYWTRMTGOBFT-UHFFFAOYSA-N
MW363.38 g/mol
LogP1.60
Rot. Bonds3

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

7-piperidin-4-yl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018500) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 7-piperidin-4-yl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-piperidin-4-yl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018500
Molecular FormulaC18H17N7O2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name7-piperidin-4-yl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3nnc(-c4ccncc4)o3)c2[nH]1
InChIInChI=1S/C18H17N7O2/c26-15-9-14(11-1-5-19-6-2-11)25-16(22-15)13(10-21-25)18-24-23-17(27-18)12-3-7-20-8-4-12/h3-4,7-11,19H,1-2,5-6H2,(H,22,26)
InChIKeyOSEYWTRMTGOBFT-UHFFFAOYSA-N
XLogP1.60
TPSA114.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-piperidin-4-yl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018500) is 7-piperidin-4-yl-3-(5-pyridin-4-yl-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-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-piperidin-4-yl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C2CCNCC2)n2ncc(-c3nnc(-c4ccncc4)o3)c2[nH]1.
What is the InChIKey of 7-piperidin-4-yl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is OSEYWTRMTGOBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2/c26-15-9-14(11-1-5-19-6-2-11)25-16(22-15)13(10-21-25)18-24-23-17(27-18)12-3-7-20-8-4-12/h3-4,7-11,19H,1-2,5-6H2,(H,22,26).
What are the key properties of 7-piperidin-4-yl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-piperidin-4-yl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 363.38 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).