[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone

C18H22N4O3 — CID 100635081

IUPAC[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CC[C@@H](Oc3ccc(N(C)C)nn3)C2)cc1
InChIInChI=1S/C18H22N4O3/c1-21(2)16-8-9-17(20-19-16)25-15-10-11-22(12-15)18(23)13-4-6-14(24-3)7-5-13/h4-9,15H,10-12H2,1-3H3/t15-/m1/s1
InChIKeyKXJGIHYPUYJWSL-OAHLLOKOSA-N
MW342.40 g/mol
LogP1.84
Rot. Bonds5

About [(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone

[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 100635081) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is [(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID100635081
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CC[C@@H](Oc3ccc(N(C)C)nn3)C2)cc1
InChIInChI=1S/C18H22N4O3/c1-21(2)16-8-9-17(20-19-16)25-15-10-11-22(12-15)18(23)13-4-6-14(24-3)7-5-13/h4-9,15H,10-12H2,1-3H3/t15-/m1/s1
InChIKeyKXJGIHYPUYJWSL-OAHLLOKOSA-N
XLogP1.84
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 90639595
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 90639726
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(1H-indol-6-yl)methanone
CID 90639673
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90639608
1,3-benzodioxol-5-yl-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone
CID 90639538
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 90639741
[3,5-bis(trifluoromethyl)phenyl]-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone
CID 90639568
(2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone
CID 90639547
4-[(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]benzonitrile
CID 100631894
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627626
N-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 90639762
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone
CID 90639490

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone (CID 100635081) is [(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CC[C@@H](Oc3ccc(N(C)C)nn3)C2)cc1.
What is the InChIKey of [(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is KXJGIHYPUYJWSL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-21(2)16-8-9-17(20-19-16)25-15-10-11-22(12-15)18(23)13-4-6-14(24-3)7-5-13/h4-9,15H,10-12H2,1-3H3/t15-/m1/s1.
What are the key properties of [(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone?
[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 342.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 100635081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).