4-[(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methyl]-2,1,3-benzoxadiazole

C20H26N6O — CID 72920667

IUPAC4-[(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methyl]-2,1,3-benzoxadiazole
SMILESCCCN1CCc2[nH]cnc2C12CCN(Cc1cccc3nonc13)CC2
InChIInChI=1S/C20H26N6O/c1-2-9-26-10-6-17-19(22-14-21-17)20(26)7-11-25(12-8-20)13-15-4-3-5-16-18(15)24-27-23-16/h3-5,14H,2,6-13H2,1H3,(H,21,22)
InChIKeyOTSZBKLMAPUKKA-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.71
Rot. Bonds4

About 4-[(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methyl]-2,1,3-benzoxadiazole

4-[(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methyl]-2,1,3-benzoxadiazole (PubChem CID 72920667) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-[(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methyl]-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-[(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methyl]-2,1,3-benzoxadiazole
PubChem CID72920667
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name4-[(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methyl]-2,1,3-benzoxadiazole
SMILESCCCN1CCc2[nH]cnc2C12CCN(Cc1cccc3nonc13)CC2
InChIInChI=1S/C20H26N6O/c1-2-9-26-10-6-17-19(22-14-21-17)20(26)7-11-25(12-8-20)13-15-4-3-5-16-18(15)24-27-23-16/h3-5,14H,2,6-13H2,1H3,(H,21,22)
InChIKeyOTSZBKLMAPUKKA-UHFFFAOYSA-N
XLogP2.71
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methyl]-2,1,3-benzoxadiazole?
The IUPAC name of 4-[(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methyl]-2,1,3-benzoxadiazole (CID 72920667) is 4-[(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methyl]-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-[(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methyl]-2,1,3-benzoxadiazole?
The canonical SMILES for 4-[(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methyl]-2,1,3-benzoxadiazole is CCCN1CCc2[nH]cnc2C12CCN(Cc1cccc3nonc13)CC2.
What is the InChIKey of 4-[(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methyl]-2,1,3-benzoxadiazole?
The InChIKey is OTSZBKLMAPUKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-2-9-26-10-6-17-19(22-14-21-17)20(26)7-11-25(12-8-20)13-15-4-3-5-16-18(15)24-27-23-16/h3-5,14H,2,6-13H2,1H3,(H,21,22).
What are the key properties of 4-[(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methyl]-2,1,3-benzoxadiazole?
4-[(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methyl]-2,1,3-benzoxadiazole has a molecular weight of 366.47 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methyl]-2,1,3-benzoxadiazole is sourced from PubChem (CID 72920667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).