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

C17H20N6O2 — CID 126834904

IUPAC1-[3-(3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC(c2nc(-c3ccnc4ccnn34)no2)C1
InChIInChI=1S/C17H20N6O2/c1-2-4-15(24)22-10-3-5-12(11-22)17-20-16(21-25-17)13-6-8-18-14-7-9-19-23(13)14/h6-9,12H,2-5,10-11H2,1H3
InChIKeyKNTPCMPJNXEARK-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.29
Rot. Bonds4

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

1-[3-(3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one (PubChem CID 126834904) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-[3-(3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-(3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
PubChem CID126834904
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name1-[3-(3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC(c2nc(-c3ccnc4ccnn34)no2)C1
InChIInChI=1S/C17H20N6O2/c1-2-4-15(24)22-10-3-5-12(11-22)17-20-16(21-25-17)13-6-8-18-14-7-9-19-23(13)14/h6-9,12H,2-5,10-11H2,1H3
InChIKeyKNTPCMPJNXEARK-UHFFFAOYSA-N
XLogP2.29
TPSA89.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[(3S)-3-[(3S)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 52516749
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]hexan-1-one
CID 4037944
1-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]heptan-1-one
CID 7351261
1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120856198
1-[3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 56728197
1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]hexan-1-one
CID 42760280
2-methoxy-1-[(3R)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 97456697
2-methoxy-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 72938728
1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]heptan-1-one
CID 42760296
1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 42760396
3-pyridin-3-yl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 91768791
4-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 119313771

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-(3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one (CID 126834904) is 1-[3-(3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-(3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-(3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CCCC(c2nc(-c3ccnc4ccnn34)no2)C1.
What is the InChIKey of 1-[3-(3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one?
The InChIKey is KNTPCMPJNXEARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-2-4-15(24)22-10-3-5-12(11-22)17-20-16(21-25-17)13-6-8-18-14-7-9-19-23(13)14/h6-9,12H,2-5,10-11H2,1H3.
What are the key properties of 1-[3-(3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one?
1-[3-(3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one has a molecular weight of 340.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 126834904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).