5-methyl-3-[[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole

C18H26N6O — CID 95847144

IUPAC5-methyl-3-[[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CCC[C@@H](Cc3ccc(N4CCCC4)nn3)C2)no1
InChIInChI=1S/C18H26N6O/c1-14-19-17(22-25-14)13-23-8-4-5-15(12-23)11-16-6-7-18(21-20-16)24-9-2-3-10-24/h6-7,15H,2-5,8-13H2,1H3/t15-/m0/s1
InChIKeyANPVMTVSSZZGQN-HNNXBMFYSA-N
MW342.45 g/mol
LogP2.22
Rot. Bonds5

About 5-methyl-3-[[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole

5-methyl-3-[[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 95847144) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 5-methyl-3-[[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID95847144
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name5-methyl-3-[[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CCC[C@@H](Cc3ccc(N4CCCC4)nn3)C2)no1
InChIInChI=1S/C18H26N6O/c1-14-19-17(22-25-14)13-23-8-4-5-15(12-23)11-16-6-7-18(21-20-16)24-9-2-3-10-24/h6-7,15H,2-5,8-13H2,1H3/t15-/m0/s1
InChIKeyANPVMTVSSZZGQN-HNNXBMFYSA-N
XLogP2.22
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-methyl-3-[[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine
CID 95847107
N-methyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 61205541
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 55256456
2-methyl-N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63847441
3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine
CID 110271613
5-methyl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95313243
5-methyl-3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95722364
methyl 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazine-3-carboxylate
CID 133342751
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62062544
2-amino-1-[3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
CID 110271601
1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone
CID 95846960
4-[6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]morpholine
CID 95847079

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 95847144) is 5-methyl-3-[[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1nc(CN2CCC[C@@H](Cc3ccc(N4CCCC4)nn3)C2)no1.
What is the InChIKey of 5-methyl-3-[[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is ANPVMTVSSZZGQN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-14-19-17(22-25-14)13-23-8-4-5-15(12-23)11-16-6-7-18(21-20-16)24-9-2-3-10-24/h6-7,15H,2-5,8-13H2,1H3/t15-/m0/s1.
What are the key properties of 5-methyl-3-[[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
5-methyl-3-[[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 342.45 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95847144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).