5-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-phenyl-1,2,4-oxadiazole

C20H24N6O — CID 70771049

IUPAC5-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-phenyl-1,2,4-oxadiazole
SMILESCCN1CCc2[nH]cnc2C12CCN(c1nc(-c3ccccc3)no1)CC2
InChIInChI=1S/C20H24N6O/c1-2-26-11-8-16-17(22-14-21-16)20(26)9-12-25(13-10-20)19-23-18(24-27-19)15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,21,22)
InChIKeyMKSRAHVKQRGHIW-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.83
Rot. Bonds3

About 5-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-phenyl-1,2,4-oxadiazole

5-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 70771049) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-phenyl-1,2,4-oxadiazole
PubChem CID70771049
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name5-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-phenyl-1,2,4-oxadiazole
SMILESCCN1CCc2[nH]cnc2C12CCN(c1nc(-c3ccccc3)no1)CC2
InChIInChI=1S/C20H24N6O/c1-2-26-11-8-16-17(22-14-21-16)20(26)9-12-25(13-10-20)19-23-18(24-27-19)15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,21,22)
InChIKeyMKSRAHVKQRGHIW-UHFFFAOYSA-N
XLogP2.83
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-5-phenyl-1,2,4-oxadiazole
CID 72879264
5-ethyl-1'-(2-methylquinolin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72854207
(4S)-4-[(dimethylamino)methyl]-1-(3-phenyl-1,2,4-oxadiazol-5-yl)azepan-4-ol
CID 95726878
5-ethyl-1'-[3-(5-methylfuran-2-yl)butyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72918214
(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-[5-(methoxymethyl)thiophen-2-yl]methanone
CID 72868232
1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72934730
[1-(difluoromethyl)pyrazol-3-yl]-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72901157
(2R)-1-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(4-methylpyrazol-1-yl)propan-1-one
CID 97117172
(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 72859382
5-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenyl-1,2,4-oxadiazole
CID 46342013
5-[(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 72906237
1-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)pyridin-2-one
CID 167854068

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-phenyl-1,2,4-oxadiazole (CID 70771049) is 5-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-phenyl-1,2,4-oxadiazole is CCN1CCc2[nH]cnc2C12CCN(c1nc(-c3ccccc3)no1)CC2.
What is the InChIKey of 5-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is MKSRAHVKQRGHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-2-26-11-8-16-17(22-14-21-16)20(26)9-12-25(13-10-20)19-23-18(24-27-19)15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,21,22).
What are the key properties of 5-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-phenyl-1,2,4-oxadiazole?
5-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 364.45 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 70771049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).