[3-[6-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxyimino]azetidin-1-yl]-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl carbamate

C23H26F2N4O5 — CID 175062904

IUPAC[3-[6-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxyimino]azetidin-1-yl]-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl carbamate
SMILESCC1(C)OCC(CON=C2CN(c3ncc(-c4cccc(COC(N)=O)c4F)cc3F)C2)CO1
InChIInChI=1S/C23H26F2N4O5/c1-23(2)32-10-14(11-33-23)12-34-28-17-8-29(9-17)21-19(24)6-16(7-27-21)18-5-3-4-15(20(18)25)13-31-22(26)30/h3-7,14H,8-13H2,1-2H3,(H2,26,30)
InChIKeyOZEULGGUOHSERJ-UHFFFAOYSA-N
MW476.48 g/mol
LogP3.21
Rot. Bonds7

About [3-[6-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxyimino]azetidin-1-yl]-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl carbamate

[3-[6-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxyimino]azetidin-1-yl]-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl carbamate (PubChem CID 175062904) has the molecular formula C23H26F2N4O5 and a molecular weight of 476.48 g/mol. Its IUPAC name is [3-[6-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxyimino]azetidin-1-yl]-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl carbamate.

Molecular Properties

Compound Name[3-[6-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxyimino]azetidin-1-yl]-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl carbamate
PubChem CID175062904
Molecular FormulaC23H26F2N4O5
Molecular Weight476.48 g/mol
Exact Mass476.19
IUPAC Name[3-[6-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxyimino]azetidin-1-yl]-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl carbamate
SMILESCC1(C)OCC(CON=C2CN(c3ncc(-c4cccc(COC(N)=O)c4F)cc3F)C2)CO1
InChIInChI=1S/C23H26F2N4O5/c1-23(2)32-10-14(11-33-23)12-34-28-17-8-29(9-17)21-19(24)6-16(7-27-21)18-5-3-4-15(20(18)25)13-31-22(26)30/h3-7,14H,8-13H2,1-2H3,(H2,26,30)
InChIKeyOZEULGGUOHSERJ-UHFFFAOYSA-N
XLogP3.21
TPSA108.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [3-[6-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxyimino]azetidin-1-yl]-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[6-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxyimino]azetidin-1-yl]-5-fluoro-3-pyridinyl]-2-methylphenyl]methyl N-(diaminomethylidene)carbamate
CID 134591535
[3-[6-[3-[2-(2,2-dimethyl-1,3-dioxol-4-yl)ethoxyimino]azetidin-1-yl]-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl N-(diaminomethylidene)carbamate
CID 146032297
[2-fluoro-3-[5-fluoro-6-(3-methoxyiminoazetidin-1-yl)-3-pyridinyl]phenyl]methyl 3-amino-3-iminopropanoate
CID 160918446
[3-[6-[3-(1,3-dihydroxy-2-methylpropoxy)iminoazetidin-1-yl]-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl N-(diaminomethylidene)carbamate
CID 146027221
[3-[6-(3,3-dimethoxyazetidin-1-yl)-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl N-(diaminomethylidene)carbamate
CID 135200663
[3-[5-(difluoromethyl)-6-(3-methoxyiminoazetidin-1-yl)-3-pyridinyl]-2-fluorophenyl]methyl N-(diaminomethylidene)carbamate
CID 126564583
[2-fluoro-3-[5-fluoro-6-[3-(trideuteriomethoxyimino)azetidin-1-yl]-3-pyridinyl]phenyl]methanol
CID 134584914
[2-fluoro-3-[5-fluoro-6-[3-(hydroxymethyl)azetidin-1-yl]-3-pyridinyl]phenyl]methyl 3-amino-3-iminopropanoate
CID 160816987
N-[2-(4,4-dimethylcyclohexyl)ethyl]-1-[3-fluoro-5-(2-fluoro-3-propylphenyl)-2-pyridinyl]azetidin-3-imine
CID 134591536
[N'-[[3-[2-(3-ethoxyiminoazetidin-1-yl)pyrimidin-5-yl]-2-fluorophenyl]methyl]carbamimidoyl] carbamate
CID 172730804
(Z)-but-2-enedioic acid;[2-fluoro-3-[2-(3-methoxyiminoazetidin-1-yl)pyrimidin-5-yl]phenyl]methyl N-(diaminomethylidene)carbamate
CID 134584850
4-[[1-[5-[3-(diaminomethylidenecarbamoyloxymethyl)-2-fluorophenyl]pyrimidin-2-yl]azetidin-3-ylidene]amino]oxybutanoic acid
CID 126562503

Frequently Asked Questions

What is the IUPAC name of [3-[6-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxyimino]azetidin-1-yl]-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl carbamate?
The IUPAC name of [3-[6-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxyimino]azetidin-1-yl]-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl carbamate (CID 175062904) is [3-[6-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxyimino]azetidin-1-yl]-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl carbamate.
What is the SMILES notation for [3-[6-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxyimino]azetidin-1-yl]-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl carbamate?
The canonical SMILES for [3-[6-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxyimino]azetidin-1-yl]-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl carbamate is CC1(C)OCC(CON=C2CN(c3ncc(-c4cccc(COC(N)=O)c4F)cc3F)C2)CO1.
What is the InChIKey of [3-[6-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxyimino]azetidin-1-yl]-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl carbamate?
The InChIKey is OZEULGGUOHSERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O5/c1-23(2)32-10-14(11-33-23)12-34-28-17-8-29(9-17)21-19(24)6-16(7-27-21)18-5-3-4-15(20(18)25)13-31-22(26)30/h3-7,14H,8-13H2,1-2H3,(H2,26,30).
What are the key properties of [3-[6-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxyimino]azetidin-1-yl]-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl carbamate?
[3-[6-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxyimino]azetidin-1-yl]-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl carbamate has a molecular weight of 476.48 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxyimino]azetidin-1-yl]-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl carbamate is sourced from PubChem (CID 175062904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).