3-(5-fluoro-2-pyridinyl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole

C13H11FN6O — CID 79704097

IUPAC3-(5-fluoro-2-pyridinyl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3Cc4nc[nH]c4CN3)n2)nc1
InChIInChI=1S/C13H11FN6O/c14-7-1-2-8(15-4-7)12-19-13(21-20-12)10-3-9-11(5-16-10)18-6-17-9/h1-2,4,6,10,16H,3,5H2,(H,17,18)
InChIKeyQYJGGGHMECPEBE-UHFFFAOYSA-N
MW286.27 g/mol
LogP1.38
Rot. Bonds2

About 3-(5-fluoro-2-pyridinyl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole

3-(5-fluoro-2-pyridinyl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole (PubChem CID 79704097) has the molecular formula C13H11FN6O and a molecular weight of 286.27 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
PubChem CID79704097
Molecular FormulaC13H11FN6O
Molecular Weight286.27 g/mol
Exact Mass286.10
IUPAC Name3-(5-fluoro-2-pyridinyl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3Cc4nc[nH]c4CN3)n2)nc1
InChIInChI=1S/C13H11FN6O/c14-7-1-2-8(15-4-7)12-19-13(21-20-12)10-3-9-11(5-16-10)18-6-17-9/h1-2,4,6,10,16H,3,5H2,(H,17,18)
InChIKeyQYJGGGHMECPEBE-UHFFFAOYSA-N
XLogP1.38
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(5-fluoro-2-pyridinyl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(furan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 79344450
3-ethyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 79343357
3-propyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 79343799
3-(5-fluoro-2-pyridinyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915048
3-cyclopropyl-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
CID 51136224
3-cyclopropyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 75614432
3-benzyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 75111408
N-oxido-N-[3-[5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]phenyl]hydroxylamine
CID 163127552
N-hydroxy-3-[5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]benzeneamine oxide
CID 163127549
3-(ethylsulfanylmethyl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 79344641
3-(4-methylpiperazin-1-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 116807674
3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 79719777

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole (CID 79704097) is 3-(5-fluoro-2-pyridinyl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(C3Cc4nc[nH]c4CN3)n2)nc1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
The InChIKey is QYJGGGHMECPEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN6O/c14-7-1-2-8(15-4-7)12-19-13(21-20-12)10-3-9-11(5-16-10)18-6-17-9/h1-2,4,6,10,16H,3,5H2,(H,17,18).
What are the key properties of 3-(5-fluoro-2-pyridinyl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
3-(5-fluoro-2-pyridinyl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole has a molecular weight of 286.27 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 79704097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).