5-[1-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one

C14H14N6O3 — CID 166244495

IUPAC5-[1-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=C(c1cnn2ncccc12)N1CCCC(c2n[nH]c(=O)o2)C1
InChIInChI=1S/C14H14N6O3/c21-13(10-7-16-20-11(10)4-1-5-15-20)19-6-2-3-9(8-19)12-17-18-14(22)23-12/h1,4-5,7,9H,2-3,6,8H2,(H,18,22)
InChIKeyORJAFFPUTNQUKG-UHFFFAOYSA-N
MW314.30 g/mol
LogP0.43
Rot. Bonds2

About 5-[1-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one

5-[1-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 166244495) has the molecular formula C14H14N6O3 and a molecular weight of 314.30 g/mol. Its IUPAC name is 5-[1-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[1-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID166244495
Molecular FormulaC14H14N6O3
Molecular Weight314.30 g/mol
Exact Mass314.11
IUPAC Name5-[1-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=C(c1cnn2ncccc12)N1CCCC(c2n[nH]c(=O)o2)C1
InChIInChI=1S/C14H14N6O3/c21-13(10-7-16-20-11(10)4-1-5-15-20)19-6-2-3-9(8-19)12-17-18-14(22)23-12/h1,4-5,7,9H,2-3,6,8H2,(H,18,22)
InChIKeyORJAFFPUTNQUKG-UHFFFAOYSA-N
XLogP0.43
TPSA109.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one with MolForge

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Related Compounds

5-[1-(thiadiazole-5-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 136545040
5-(1-prop-2-enoylpiperidin-3-yl)-3H-1,3,4-oxadiazol-2-one
CID 126831695
5-[1-[1-(2,2-difluorocyclopropyl)pyrazole-3-carbonyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 166268595
2-methyl-4-[(3S)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136799315
5-[1-[2-(2,4-dichlorophenyl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 132971968
(3S)-N-(5-methyl-2-phenoxyphenyl)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 124741843
[(3S)-3-hydroxypiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 107224385
5-[1-(2-chloro-4-methylbenzoyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 122153512
1H-indol-2-yl-[4-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperazin-1-yl]methanone
CID 167948450
5-[1-[4-(3,4-dimethylphenyl)oxane-4-carbonyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 138058226
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 51119873
6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124960537

Frequently Asked Questions

What is the IUPAC name of 5-[1-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[1-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one (CID 166244495) is 5-[1-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[1-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[1-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one is O=C(c1cnn2ncccc12)N1CCCC(c2n[nH]c(=O)o2)C1.
What is the InChIKey of 5-[1-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is ORJAFFPUTNQUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3/c21-13(10-7-16-20-11(10)4-1-5-15-20)19-6-2-3-9(8-19)12-17-18-14(22)23-12/h1,4-5,7,9H,2-3,6,8H2,(H,18,22).
What are the key properties of 5-[1-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?
5-[1-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 314.30 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 166244495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).