3-cyclopentyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one

C17H25N3O3 — CID 90639054

IUPAC3-cyclopentyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
SMILESCOc1ccc(OC2CCN(C(=O)CCC3CCCC3)C2)nn1
InChIInChI=1S/C17H25N3O3/c1-22-15-7-8-16(19-18-15)23-14-10-11-20(12-14)17(21)9-6-13-4-2-3-5-13/h7-8,13-14H,2-6,9-12H2,1H3
InChIKeyAQQARHVYTSWYOM-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.44
Rot. Bonds6

About 3-cyclopentyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one

3-cyclopentyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one (PubChem CID 90639054) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-cyclopentyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
PubChem CID90639054
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name3-cyclopentyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
SMILESCOc1ccc(OC2CCN(C(=O)CCC3CCCC3)C2)nn1
InChIInChI=1S/C17H25N3O3/c1-22-15-7-8-16(19-18-15)23-14-10-11-20(12-14)17(21)9-6-13-4-2-3-5-13/h7-8,13-14H,2-6,9-12H2,1H3
InChIKeyAQQARHVYTSWYOM-UHFFFAOYSA-N
XLogP2.44
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90639063
3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 100620918
3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 90639066
2-(4-fluorophenyl)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 90639141
1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 90639254
(4-butylcyclohexyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639058
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
CID 91627457
2-(2-fluorophenyl)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 91627502
2-(4-fluorophenyl)sulfanyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 90639191
1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100630799
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627533
2-cyclohexyl-1-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 100613496

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one (CID 90639054) is 3-cyclopentyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one is COc1ccc(OC2CCN(C(=O)CCC3CCCC3)C2)nn1.
What is the InChIKey of 3-cyclopentyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one?
The InChIKey is AQQARHVYTSWYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-22-15-7-8-16(19-18-15)23-14-10-11-20(12-14)17(21)9-6-13-4-2-3-5-13/h7-8,13-14H,2-6,9-12H2,1H3.
What are the key properties of 3-cyclopentyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one?
3-cyclopentyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one has a molecular weight of 319.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 90639054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).