[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

C19H23N3O2S — CID 90638767

IUPAC[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCc1ccc(OC2CCN(C(=O)C3(c4cccs4)CCCC3)C2)nn1
InChIInChI=1S/C19H23N3O2S/c1-14-6-7-17(21-20-14)24-15-8-11-22(13-15)18(23)19(9-2-3-10-19)16-5-4-12-25-16/h4-7,12,15H,2-3,8-11,13H2,1H3
InChIKeyJTGDFARIXHVDNF-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.34
Rot. Bonds4

About [3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 90638767) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is [3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID90638767
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCc1ccc(OC2CCN(C(=O)C3(c4cccs4)CCCC3)C2)nn1
InChIInChI=1S/C19H23N3O2S/c1-14-6-7-17(21-20-14)24-15-8-11-22(13-15)18(23)19(9-2-3-10-19)16-5-4-12-25-16/h4-7,12,15H,2-3,8-11,13H2,1H3
InChIKeyJTGDFARIXHVDNF-UHFFFAOYSA-N
XLogP3.34
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 90637462
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 122260878
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 122261417
(3-pyridin-2-yloxyazetidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 122247258
(4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42435504
N-cyclopentyl-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638897
ethyl 1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxylate
CID 42435336
[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 100625527
(3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone
CID 119380014
(3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 121130907
(3,5-dimethylphenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638646
2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 110208245

Frequently Asked Questions

What is the IUPAC name of [3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of [3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (CID 90638767) is [3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for [3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for [3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is Cc1ccc(OC2CCN(C(=O)C3(c4cccs4)CCCC3)C2)nn1.
What is the InChIKey of [3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is JTGDFARIXHVDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-14-6-7-17(21-20-14)24-15-8-11-22(13-15)18(23)19(9-2-3-10-19)16-5-4-12-25-16/h4-7,12,15H,2-3,8-11,13H2,1H3.
What are the key properties of [3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 357.48 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 90638767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).