[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone

C21H19FN4O2 — CID 154581477

IUPAC[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(COc2ccc(-c3cccc(F)c3)nn2)C1
InChIInChI=1S/C21H19FN4O2/c22-18-5-1-3-16(11-18)19-6-7-20(25-24-19)28-14-15-8-10-26(13-15)21(27)17-4-2-9-23-12-17/h1-7,9,11-12,15H,8,10,13-14H2
InChIKeyZOAVOVUOZMVRIE-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.22
Rot. Bonds5

About [3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone

[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 154581477) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is [3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
PubChem CID154581477
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(COc2ccc(-c3cccc(F)c3)nn2)C1
InChIInChI=1S/C21H19FN4O2/c22-18-5-1-3-16(11-18)19-6-7-20(25-24-19)28-14-15-8-10-26(13-15)21(27)17-4-2-9-23-12-17/h1-7,9,11-12,15H,8,10,13-14H2
InChIKeyZOAVOVUOZMVRIE-UHFFFAOYSA-N
XLogP3.22
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

4-[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine
CID 154581531
(3-methylimidazol-4-yl)-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone
CID 154583531
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110411687
(5-hydroxy-3-pyridinyl)-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone
CID 163358245
2-methyl-1-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one
CID 154581315
3-(3-fluorophenyl)-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine
CID 154581567
2-(3-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 108924769
[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 25459016
6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 89457592
3-[[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 154580520
N'-(3-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520979
[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 125002811

Frequently Asked Questions

What is the IUPAC name of [3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone (CID 154581477) is [3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC(COc2ccc(-c3cccc(F)c3)nn2)C1.
What is the InChIKey of [3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is ZOAVOVUOZMVRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-18-5-1-3-16(11-18)19-6-7-20(25-24-19)28-14-15-8-10-26(13-15)21(27)17-4-2-9-23-12-17/h1-7,9,11-12,15H,8,10,13-14H2.
What are the key properties of [3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 378.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 154581477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).