pyridazin-3-yl 3-[[5-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate

C20H17FN4O4 — CID 123738986

IUPACpyridazin-3-yl 3-[[5-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate
SMILESCOc1cccc(-c2ccc(OC3CN(C(=O)Oc4cccnn4)C3)nc2)c1F
InChIInChI=1S/C20H17FN4O4/c1-27-16-5-2-4-15(19(16)21)13-7-8-17(22-10-13)28-14-11-25(12-14)20(26)29-18-6-3-9-23-24-18/h2-10,14H,11-12H2,1H3
InChIKeyINAPBLDCOZQMNL-UHFFFAOYSA-N
MW396.38 g/mol
LogP2.95
Rot. Bonds5

About pyridazin-3-yl 3-[[5-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate

pyridazin-3-yl 3-[[5-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate (PubChem CID 123738986) has the molecular formula C20H17FN4O4 and a molecular weight of 396.38 g/mol. Its IUPAC name is pyridazin-3-yl 3-[[5-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate.

Molecular Properties

Compound Namepyridazin-3-yl 3-[[5-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate
PubChem CID123738986
Molecular FormulaC20H17FN4O4
Molecular Weight396.38 g/mol
Exact Mass396.12
IUPAC Namepyridazin-3-yl 3-[[5-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate
SMILESCOc1cccc(-c2ccc(OC3CN(C(=O)Oc4cccnn4)C3)nc2)c1F
InChIInChI=1S/C20H17FN4O4/c1-27-16-5-2-4-15(19(16)21)13-7-8-17(22-10-13)28-14-11-25(12-14)20(26)29-18-6-3-9-23-24-18/h2-10,14H,11-12H2,1H3
InChIKeyINAPBLDCOZQMNL-UHFFFAOYSA-N
XLogP2.95
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone
CID 58073117
[4-[hydroxy(oxido)amino]phenyl] 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate
CID 153062447
(6-ethoxy-3-pyridinyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638410
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
2,2,2-trifluoro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 159511918
1-[3-[(5-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone
CID 58073107
3-[[5-[3-(2-ethoxyethoxy)phenyl]-2-pyridinyl]oxy]-N-pyridazin-3-ylazetidine-1-carboxamide
CID 130203048
N-(2-methoxyphenyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122247691
[3-[[5-[2-chloro-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl] N-pyridazin-3-ylcarbamate
CID 118364200
tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate
CID 129411647
(E)-3-(3,4-dimethoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)prop-2-en-1-one
CID 90638274
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638467

Frequently Asked Questions

What is the IUPAC name of pyridazin-3-yl 3-[[5-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate?
The IUPAC name of pyridazin-3-yl 3-[[5-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate (CID 123738986) is pyridazin-3-yl 3-[[5-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate.
What is the SMILES notation for pyridazin-3-yl 3-[[5-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate?
The canonical SMILES for pyridazin-3-yl 3-[[5-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate is COc1cccc(-c2ccc(OC3CN(C(=O)Oc4cccnn4)C3)nc2)c1F.
What is the InChIKey of pyridazin-3-yl 3-[[5-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate?
The InChIKey is INAPBLDCOZQMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O4/c1-27-16-5-2-4-15(19(16)21)13-7-8-17(22-10-13)28-14-11-25(12-14)20(26)29-18-6-3-9-23-24-18/h2-10,14H,11-12H2,1H3.
What are the key properties of pyridazin-3-yl 3-[[5-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate?
pyridazin-3-yl 3-[[5-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate has a molecular weight of 396.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazin-3-yl 3-[[5-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate is sourced from PubChem (CID 123738986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).