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

C22H28N6O — CID 72879264

IUPAC3-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-5-phenyl-1,2,4-oxadiazole
SMILESCCCCN1CCc2[nH]cnc2C12CCN(c1noc(-c3ccccc3)n1)CC2
InChIInChI=1S/C22H28N6O/c1-2-3-12-28-13-9-18-19(24-16-23-18)22(28)10-14-27(15-11-22)21-25-20(29-26-21)17-7-5-4-6-8-17/h4-8,16H,2-3,9-15H2,1H3,(H,23,24)
InChIKeyMVJXJMAPTGRAED-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.61
Rot. Bonds5

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

3-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-5-phenyl-1,2,4-oxadiazole (PubChem CID 72879264) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 3-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-5-phenyl-1,2,4-oxadiazole
PubChem CID72879264
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name3-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-5-phenyl-1,2,4-oxadiazole
SMILESCCCCN1CCc2[nH]cnc2C12CCN(c1noc(-c3ccccc3)n1)CC2
InChIInChI=1S/C22H28N6O/c1-2-3-12-28-13-9-18-19(24-16-23-18)22(28)10-14-27(15-11-22)21-25-20(29-26-21)17-7-5-4-6-8-17/h4-8,16H,2-3,9-15H2,1H3,(H,23,24)
InChIKeyMVJXJMAPTGRAED-UHFFFAOYSA-N
XLogP3.61
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72934730
5-ethyl-1'-(2-methylquinolin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72854207
(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
CID 72838099
4-[(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methyl]-2,1,3-benzoxadiazole
CID 72920667
1-benzofuran-3-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72919666
N-ethyl-2-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]pyrimidin-4-amine
CID 72903235
3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482061
1'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72871590
1-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-9-oxa-1,4-diazaspiro[5.5]undecane
CID 139599368
2-(2-methoxyethyl)-9-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70731379
2-methyl-6-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyridazin-3-one
CID 72860794

Frequently Asked Questions

What is the IUPAC name of 3-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 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) is 3-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-5-phenyl-1,2,4-oxadiazole is CCCCN1CCc2[nH]cnc2C12CCN(c1noc(-c3ccccc3)n1)CC2.
What is the InChIKey of 3-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-5-phenyl-1,2,4-oxadiazole?
The InChIKey is MVJXJMAPTGRAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-2-3-12-28-13-9-18-19(24-16-23-18)22(28)10-14-27(15-11-22)21-25-20(29-26-21)17-7-5-4-6-8-17/h4-8,16H,2-3,9-15H2,1H3,(H,23,24).
What are the key properties of 3-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-5-phenyl-1,2,4-oxadiazole?
3-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-5-phenyl-1,2,4-oxadiazole has a molecular weight of 392.51 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 72879264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).