6-[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-2-methylpyridazin-3-one

C22H26N4O2 — CID 126952470

IUPAC6-[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-2-methylpyridazin-3-one
SMILESCn1nc(N2CCC(Oc3cccc4c3ccn4CC3CC3)CC2)ccc1=O
InChIInChI=1S/C22H26N4O2/c1-24-22(27)8-7-21(23-24)25-12-9-17(10-13-25)28-20-4-2-3-19-18(20)11-14-26(19)15-16-5-6-16/h2-4,7-8,11,14,16-17H,5-6,9-10,12-13,15H2,1H3
InChIKeyVGGLRNWRPZJXTQ-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.19
Rot. Bonds5

About 6-[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-2-methylpyridazin-3-one

6-[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-2-methylpyridazin-3-one (PubChem CID 126952470) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-2-methylpyridazin-3-one
PubChem CID126952470
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name6-[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-2-methylpyridazin-3-one
SMILESCn1nc(N2CCC(Oc3cccc4c3ccn4CC3CC3)CC2)ccc1=O
InChIInChI=1S/C22H26N4O2/c1-24-22(27)8-7-21(23-24)25-12-9-17(10-13-25)28-20-4-2-3-19-18(20)11-14-26(19)15-16-5-6-16/h2-4,7-8,11,14,16-17H,5-6,9-10,12-13,15H2,1H3
InChIKeyVGGLRNWRPZJXTQ-UHFFFAOYSA-N
XLogP3.19
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-2-methylpyridazin-3-one with MolForge

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Related Compounds

5-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpyrazin-2-one
CID 126952400
6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 126952728
2-[4-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953596
4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole
CID 126952428
[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126952327
2-[4-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)oxyindol-1-yl]acetamide
CID 126953445
4-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]oxy-1-(2,2-difluoroethyl)indole
CID 126952819
1-(2-methoxyethyl)-4-(1-pyrimidin-4-ylpiperidin-4-yl)oxyindole
CID 126952266
[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 126952332
[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 126952338
1-(cyclopropylmethyl)-4-ethoxyindole
CID 83173607
1-(2-methoxyethyl)-4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxyindole
CID 126952243

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-2-methylpyridazin-3-one (CID 126952470) is 6-[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-2-methylpyridazin-3-one is Cn1nc(N2CCC(Oc3cccc4c3ccn4CC3CC3)CC2)ccc1=O.
What is the InChIKey of 6-[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is VGGLRNWRPZJXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-24-22(27)8-7-21(23-24)25-12-9-17(10-13-25)28-20-4-2-3-19-18(20)11-14-26(19)15-16-5-6-16/h2-4,7-8,11,14,16-17H,5-6,9-10,12-13,15H2,1H3.
What are the key properties of 6-[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-2-methylpyridazin-3-one?
6-[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 378.48 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 126952470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).