2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol

C15H13FN4O2 — CID 154786376

IUPAC2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
SMILESOC1CCCn2nc(-c3nc(-c4cccc(F)c4)no3)cc21
InChIInChI=1S/C15H13FN4O2/c16-10-4-1-3-9(7-10)14-17-15(22-19-14)11-8-12-13(21)5-2-6-20(12)18-11/h1,3-4,7-8,13,21H,2,5-6H2
InChIKeyVQZCSLRXMINLDX-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.57
Rot. Bonds2

About 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol

2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol (PubChem CID 154786376) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
PubChem CID154786376
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
SMILESOC1CCCn2nc(-c3nc(-c4cccc(F)c4)no3)cc21
InChIInChI=1S/C15H13FN4O2/c16-10-4-1-3-9(7-10)14-17-15(22-19-14)11-8-12-13(21)5-2-6-20(12)18-11/h1,3-4,7-8,13,21H,2,5-6H2
InChIKeyVQZCSLRXMINLDX-UHFFFAOYSA-N
XLogP2.57
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
CID 56770209
5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769550
N-cyclopentyl-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 46385501
[(4R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl] benzoate
CID 98042178
3-(3-fluorophenyl)-5-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133482714
(6R)-6-(4-ethoxyphenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125128208
3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069286
(2R)-N-(3-fluorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057703
(2S)-N-(3-fluorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057702
N-cyclopentyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 155799638
1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid
CID 56770067

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
The IUPAC name of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol (CID 154786376) is 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol.
What is the SMILES notation for 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
The canonical SMILES for 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol is OC1CCCn2nc(-c3nc(-c4cccc(F)c4)no3)cc21.
What is the InChIKey of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
The InChIKey is VQZCSLRXMINLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c16-10-4-1-3-9(7-10)14-17-15(22-19-14)11-8-12-13(21)5-2-6-20(12)18-11/h1,3-4,7-8,13,21H,2,5-6H2.
What are the key properties of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol has a molecular weight of 300.29 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol is sourced from PubChem (CID 154786376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).