[3,5-bis(trifluoromethyl)phenyl]-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone

C19H18F6N4O2 — CID 90639568

IUPAC[3,5-bis(trifluoromethyl)phenyl]-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone
SMILESCN(C)c1ccc(OC2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)nn1
InChIInChI=1S/C19H18F6N4O2/c1-28(2)15-3-4-16(27-26-15)31-14-5-6-29(10-14)17(30)11-7-12(18(20,21)22)9-13(8-11)19(23,24)25/h3-4,7-9,14H,5-6,10H2,1-2H3
InChIKeyHUWXHWRMUSDNSB-UHFFFAOYSA-N
MW448.37 g/mol
LogP3.87
Rot. Bonds4

About [3,5-bis(trifluoromethyl)phenyl]-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone

[3,5-bis(trifluoromethyl)phenyl]-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone (PubChem CID 90639568) has the molecular formula C19H18F6N4O2 and a molecular weight of 448.37 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone
PubChem CID90639568
Molecular FormulaC19H18F6N4O2
Molecular Weight448.37 g/mol
Exact Mass448.13
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone
SMILESCN(C)c1ccc(OC2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)nn1
InChIInChI=1S/C19H18F6N4O2/c1-28(2)15-3-4-16(27-26-15)31-14-5-6-29(10-14)17(30)11-7-12(18(20,21)22)9-13(8-11)19(23,24)25/h3-4,7-9,14H,5-6,10H2,1-2H3
InChIKeyHUWXHWRMUSDNSB-UHFFFAOYSA-N
XLogP3.87
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3,5-bis(trifluoromethyl)phenyl]-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 100635081
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 90639726
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]-(1H-indol-6-yl)methanone
CID 90639673
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90639608
[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 90638686
N-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 90639762
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 90639741
(2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone
CID 90639547
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627626
1-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 100636242
[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 100637237

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone (CID 90639568) is [3,5-bis(trifluoromethyl)phenyl]-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone is CN(C)c1ccc(OC2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)nn1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone?
The InChIKey is HUWXHWRMUSDNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6N4O2/c1-28(2)15-3-4-16(27-26-15)31-14-5-6-29(10-14)17(30)11-7-12(18(20,21)22)9-13(8-11)19(23,24)25/h3-4,7-9,14H,5-6,10H2,1-2H3.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone?
[3,5-bis(trifluoromethyl)phenyl]-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone has a molecular weight of 448.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 90639568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).