1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone

C24H26N4O5 — CID 58073117

IUPAC1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone
SMILESCOCCOc1ccc(OC)c(-c2ccc(OC3CN(C(=O)Cc4cccnn4)C3)nc2)c1
InChIInChI=1S/C24H26N4O5/c1-30-10-11-32-19-6-7-22(31-2)21(13-19)17-5-8-23(25-14-17)33-20-15-28(16-20)24(29)12-18-4-3-9-26-27-18/h3-9,13-14,20H,10-12,15-16H2,1-2H3
InChIKeyYCHDBCKNSUUVCK-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.40
Rot. Bonds10

About 1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone

1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone (PubChem CID 58073117) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is 1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone.

Molecular Properties

Compound Name1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone
PubChem CID58073117
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone
SMILESCOCCOc1ccc(OC)c(-c2ccc(OC3CN(C(=O)Cc4cccnn4)C3)nc2)c1
InChIInChI=1S/C24H26N4O5/c1-30-10-11-32-19-6-7-22(31-2)21(13-19)17-5-8-23(25-14-17)33-20-15-28(16-20)24(29)12-18-4-3-9-26-27-18/h3-9,13-14,20H,10-12,15-16H2,1-2H3
InChIKeyYCHDBCKNSUUVCK-UHFFFAOYSA-N
XLogP2.40
TPSA95.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(5-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone
CID 58073107
[3-[[5-[2-chloro-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl] N-pyridazin-3-ylcarbamate
CID 118364200
1-[3-[(5-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone;(4-nitrophenyl) 3-[(5-bromo-2-pyridinyl)oxy]azetidine-1-carboxylate
CID 157166501
pyridazin-3-yl 3-[[5-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate
CID 123738986
3-[[5-[3-(2-ethoxyethoxy)phenyl]-2-pyridinyl]oxy]-N-pyridazin-3-ylazetidine-1-carboxamide
CID 130203048
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[8-methoxy-5-[3-(2-methoxyethoxy)phenyl]quinoxalin-2-yl]ethanone
CID 162264693
2-(3-methoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638339
2-(3,4-dimethoxyphenyl)-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
CID 122251377
2-(4-methoxyphenyl)-1-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 129416498
(E)-3-(3,4-dimethoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)prop-2-en-1-one
CID 90638274
1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122248358
N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide
CID 122247300

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone?
The IUPAC name of 1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone (CID 58073117) is 1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone.
What is the SMILES notation for 1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone?
The canonical SMILES for 1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone is COCCOc1ccc(OC)c(-c2ccc(OC3CN(C(=O)Cc4cccnn4)C3)nc2)c1.
What is the InChIKey of 1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone?
The InChIKey is YCHDBCKNSUUVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-30-10-11-32-19-6-7-22(31-2)21(13-19)17-5-8-23(25-14-17)33-20-15-28(16-20)24(29)12-18-4-3-9-26-27-18/h3-9,13-14,20H,10-12,15-16H2,1-2H3.
What are the key properties of 1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone?
1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone has a molecular weight of 450.50 g/mol, XLogP of 2.40, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-[2-methoxy-5-(2-methoxyethoxy)phenyl]-2-pyridinyl]oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone is sourced from PubChem (CID 58073117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).