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

C18H21N9O2 — CID 137018637

IUPAC7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC(C)(c1nnc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)o1)n1cncn1
InChIInChI=1S/C18H21N9O2/c1-18(2,26-10-20-9-22-26)17-25-24-16(29-17)12-8-21-27-13(7-14(28)23-15(12)27)11-3-5-19-6-4-11/h7-11,19H,3-6H2,1-2H3,(H,23,28)
InChIKeyZYDPFXPFPFCXTA-UHFFFAOYSA-N
MW395.43 g/mol
LogP0.91
Rot. Bonds4

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

7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018637) has the molecular formula C18H21N9O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018637
Molecular FormulaC18H21N9O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC Name7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC(C)(c1nnc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)o1)n1cncn1
InChIInChI=1S/C18H21N9O2/c1-18(2,26-10-20-9-22-26)17-25-24-16(29-17)12-8-21-27-13(7-14(28)23-15(12)27)11-3-5-19-6-4-11/h7-11,19H,3-6H2,1-2H3,(H,23,28)
InChIKeyZYDPFXPFPFCXTA-UHFFFAOYSA-N
XLogP0.91
TPSA131.82 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-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-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018637) is 7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-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-[2-(1,2,4-triazol-1-yl)propan-2-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-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one is CC(C)(c1nnc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)o1)n1cncn1.
What is the InChIKey of 7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is ZYDPFXPFPFCXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N9O2/c1-18(2,26-10-20-9-22-26)17-25-24-16(29-17)12-8-21-27-13(7-14(28)23-15(12)27)11-3-5-19-6-4-11/h7-11,19H,3-6H2,1-2H3,(H,23,28).
What are the key properties of 7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 395.43 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).