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

C13H19N7O — CID 116807674

IUPAC3-(4-methylpiperazin-1-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
SMILESCN1CCN(c2noc(C3Cc4nc[nH]c4CN3)n2)CC1
InChIInChI=1S/C13H19N7O/c1-19-2-4-20(5-3-19)13-17-12(21-18-13)10-6-9-11(7-14-10)16-8-15-9/h8,10,14H,2-7H2,1H3,(H,15,16)
InChIKeyUFAJQIJSQCPEFG-UHFFFAOYSA-N
MW289.34 g/mol
LogP-0.07
Rot. Bonds2

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

3-(4-methylpiperazin-1-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole (PubChem CID 116807674) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
PubChem CID116807674
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name3-(4-methylpiperazin-1-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
SMILESCN1CCN(c2noc(C3Cc4nc[nH]c4CN3)n2)CC1
InChIInChI=1S/C13H19N7O/c1-19-2-4-20(5-3-19)13-17-12(21-18-13)10-6-9-11(7-14-10)16-8-15-9/h8,10,14H,2-7H2,1H3,(H,15,16)
InChIKeyUFAJQIJSQCPEFG-UHFFFAOYSA-N
XLogP-0.07
TPSA86.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-cyclopropyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 75614432
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-(2-ethoxypropan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 116704498
3-benzyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 75111408
5-(azepan-2-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazole
CID 116807687
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
6-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 115278225
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
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
3-(4-methylpiperazin-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743713

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 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) is 3-(4-methylpiperazin-1-yl)-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-(4-methylpiperazin-1-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole is CN1CCN(c2noc(C3Cc4nc[nH]c4CN3)n2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
The InChIKey is UFAJQIJSQCPEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-19-2-4-20(5-3-19)13-17-12(21-18-13)10-6-9-11(7-14-10)16-8-15-9/h8,10,14H,2-7H2,1H3,(H,15,16).
What are the key properties of 3-(4-methylpiperazin-1-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
3-(4-methylpiperazin-1-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole has a molecular weight of 289.34 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 116807674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).