2-(4-fluorophenyl)sulfanyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone

C17H18FN3O3S — CID 90639191

IUPAC2-(4-fluorophenyl)sulfanyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
SMILESCOc1ccc(OC2CCN(C(=O)CSc3ccc(F)cc3)C2)nn1
InChIInChI=1S/C17H18FN3O3S/c1-23-15-6-7-16(20-19-15)24-13-8-9-21(10-13)17(22)11-25-14-4-2-12(18)3-5-14/h2-7,13H,8-11H2,1H3
InChIKeyHQIOEFKSZWOBSI-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.40
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone

2-(4-fluorophenyl)sulfanyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone (PubChem CID 90639191) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
PubChem CID90639191
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
SMILESCOc1ccc(OC2CCN(C(=O)CSc3ccc(F)cc3)C2)nn1
InChIInChI=1S/C17H18FN3O3S/c1-23-15-6-7-16(20-19-15)24-13-8-9-21(10-13)17(22)11-25-14-4-2-12(18)3-5-14/h2-7,13H,8-11H2,1H3
InChIKeyHQIOEFKSZWOBSI-UHFFFAOYSA-N
XLogP2.40
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 90639141
2-(4-fluorophenyl)sulfanyl-1-[(3R)-3-quinolin-2-yloxypyrrolidin-1-yl]ethanone
CID 100739813
2-(4-fluorophenyl)sulfanyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
CID 90636191
1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 90639013
2-(4-fluorophenyl)sulfanyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121163128
3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90639063
2-(2-fluorophenyl)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 91627502
3-cyclopentyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90639054
1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 90639254
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
1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone
CID 90639146

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone (CID 90639191) is 2-(4-fluorophenyl)sulfanyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone is COc1ccc(OC2CCN(C(=O)CSc3ccc(F)cc3)C2)nn1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone?
The InChIKey is HQIOEFKSZWOBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c1-23-15-6-7-16(20-19-15)24-13-8-9-21(10-13)17(22)11-25-14-4-2-12(18)3-5-14/h2-7,13H,8-11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone?
2-(4-fluorophenyl)sulfanyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone has a molecular weight of 363.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 90639191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).