[(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone

C15H17N3O3S — CID 100632006

IUPAC[(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
SMILESCOc1ccc(O[C@@H]2CCN(C(=O)c3cc(C)cs3)C2)nn1
InChIInChI=1S/C15H17N3O3S/c1-10-7-12(22-9-10)15(19)18-6-5-11(8-18)21-14-4-3-13(20-2)16-17-14/h3-4,7,9,11H,5-6,8H2,1-2H3/t11-/m1/s1
InChIKeyATMXVXMARVZKLC-LLVKDONJSA-N
MW319.39 g/mol
LogP2.15
Rot. Bonds4

About [(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone

[(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone (PubChem CID 100632006) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is [(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
PubChem CID100632006
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name[(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
SMILESCOc1ccc(O[C@@H]2CCN(C(=O)c3cc(C)cs3)C2)nn1
InChIInChI=1S/C15H17N3O3S/c1-10-7-12(22-9-10)15(19)18-6-5-11(8-18)21-14-4-3-13(20-2)16-17-14/h3-4,7,9,11H,5-6,8H2,1-2H3/t11-/m1/s1
InChIKeyATMXVXMARVZKLC-LLVKDONJSA-N
XLogP2.15
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylthiophen-2-yl)-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone
CID 122243361
[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 100617746
(2-chlorophenyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639091
[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 138988998
N-(3,5-dimethylphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90639329
[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 100633213
(4-methylthiophen-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162010
[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 100625527
1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100630799
(3,5-dimethylphenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638646
(3,5-dimethoxyphenyl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100626116
[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 100632774

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The IUPAC name of [(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone (CID 100632006) is [(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone.
What is the SMILES notation for [(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The canonical SMILES for [(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone is COc1ccc(O[C@@H]2CCN(C(=O)c3cc(C)cs3)C2)nn1.
What is the InChIKey of [(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The InChIKey is ATMXVXMARVZKLC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-10-7-12(22-9-10)15(19)18-6-5-11(8-18)21-14-4-3-13(20-2)16-17-14/h3-4,7,9,11H,5-6,8H2,1-2H3/t11-/m1/s1.
What are the key properties of [(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone?
[(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone has a molecular weight of 319.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 100632006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).