(2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one

C18H21N3O3 — CID 100626242

IUPAC(2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one
SMILESCc1ccc(O[C@H]2CCN(C(=O)[C@H](C)Oc3ccccc3)C2)nn1
InChIInChI=1S/C18H21N3O3/c1-13-8-9-17(20-19-13)24-16-10-11-21(12-16)18(22)14(2)23-15-6-4-3-5-7-15/h3-9,14,16H,10-12H2,1-2H3/t14-,16-/m0/s1
InChIKeyDMIXBXIABVAIFM-HOCLYGCPSA-N
MW327.38 g/mol
LogP2.23
Rot. Bonds5

About (2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one

(2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one (PubChem CID 100626242) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one.

Molecular Properties

Compound Name(2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one
PubChem CID100626242
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one
SMILESCc1ccc(O[C@H]2CCN(C(=O)[C@H](C)Oc3ccccc3)C2)nn1
InChIInChI=1S/C18H21N3O3/c1-13-8-9-17(20-19-13)24-16-10-11-21(12-16)18(22)14(2)23-15-6-4-3-5-7-15/h3-9,14,16H,10-12H2,1-2H3/t14-,16-/m0/s1
InChIKeyDMIXBXIABVAIFM-HOCLYGCPSA-N
XLogP2.23
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one with MolForge

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Related Compounds

2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one
CID 71798614
[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone
CID 72717309
1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone
CID 90639146
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 66262018
(2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one
CID 97427079
3-[1-(2-phenoxypropanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636556
2-ethoxy-1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 91627331
(2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one
CID 97104981
[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 90559487
3-(6-methylpyridazin-3-yl)oxy-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
CID 90638891
N-cyclopentyl-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638897
(3,5-dimethylphenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638646

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one?
The IUPAC name of (2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one (CID 100626242) is (2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one.
What is the SMILES notation for (2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one?
The canonical SMILES for (2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one is Cc1ccc(O[C@H]2CCN(C(=O)[C@H](C)Oc3ccccc3)C2)nn1.
What is the InChIKey of (2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one?
The InChIKey is DMIXBXIABVAIFM-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-8-9-17(20-19-13)24-16-10-11-21(12-16)18(22)14(2)23-15-6-4-3-5-7-15/h3-9,14,16H,10-12H2,1-2H3/t14-,16-/m0/s1.
What are the key properties of (2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one?
(2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one has a molecular weight of 327.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one is sourced from PubChem (CID 100626242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).