3-(4-methylquinolin-2-yl)-5-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole

C21H19N9O — CID 167874479

IUPAC3-(4-methylquinolin-2-yl)-5-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCc1cc(-c2noc(C3CCN(c4ccc5nnnn5n4)CC3)n2)nc2ccccc12
InChIInChI=1S/C21H19N9O/c1-13-12-17(22-16-5-3-2-4-15(13)16)20-23-21(31-26-20)14-8-10-29(11-9-14)19-7-6-18-24-27-28-30(18)25-19/h2-7,12,14H,8-11H2,1H3
InChIKeyKAUPVVBHORMIEG-UHFFFAOYSA-N
MW413.45 g/mol
LogP2.81
Rot. Bonds3

About 3-(4-methylquinolin-2-yl)-5-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole

3-(4-methylquinolin-2-yl)-5-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 167874479) has the molecular formula C21H19N9O and a molecular weight of 413.45 g/mol. Its IUPAC name is 3-(4-methylquinolin-2-yl)-5-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylquinolin-2-yl)-5-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID167874479
Molecular FormulaC21H19N9O
Molecular Weight413.45 g/mol
Exact Mass413.17
IUPAC Name3-(4-methylquinolin-2-yl)-5-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCc1cc(-c2noc(C3CCN(c4ccc5nnnn5n4)CC3)n2)nc2ccccc12
InChIInChI=1S/C21H19N9O/c1-13-12-17(22-16-5-3-2-4-15(13)16)20-23-21(31-26-20)14-8-10-29(11-9-14)19-7-6-18-24-27-28-30(18)25-19/h2-7,12,14H,8-11H2,1H3
InChIKeyKAUPVVBHORMIEG-UHFFFAOYSA-N
XLogP2.81
TPSA111.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine
CID 133286661
3-(1-methylpyrazol-3-yl)-5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 154867126
6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine
CID 685555
6-[4-(3-methoxyphenyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 133279385
2-methyl-6-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine
CID 72864679
(2S)-2-methyl-4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]morpholine
CID 95580708
N-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 167759639
4-methyl-N-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,3-thiazol-2-amine
CID 133481383
3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133299396
6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 86773031
3-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 114754512
6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]tetrazolo[1,5-b]pyridazine
CID 75419874

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylquinolin-2-yl)-5-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylquinolin-2-yl)-5-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole (CID 167874479) is 3-(4-methylquinolin-2-yl)-5-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylquinolin-2-yl)-5-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylquinolin-2-yl)-5-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole is Cc1cc(-c2noc(C3CCN(c4ccc5nnnn5n4)CC3)n2)nc2ccccc12.
What is the InChIKey of 3-(4-methylquinolin-2-yl)-5-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is KAUPVVBHORMIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N9O/c1-13-12-17(22-16-5-3-2-4-15(13)16)20-23-21(31-26-20)14-8-10-29(11-9-14)19-7-6-18-24-27-28-30(18)25-19/h2-7,12,14H,8-11H2,1H3.
What are the key properties of 3-(4-methylquinolin-2-yl)-5-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole?
3-(4-methylquinolin-2-yl)-5-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 413.45 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylquinolin-2-yl)-5-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 167874479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).