ethyl 2-[[3,5-difluoro-2-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridinyl]-ethylamino]-2-methylpropanoate

C23H26F2N4O3 — CID 152727225

IUPACethyl 2-[[3,5-difluoro-2-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridinyl]-ethylamino]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)N(CC)c1c(F)cnc(Oc2cccc(-c3nccn3C)c2)c1F
InChIInChI=1S/C23H26F2N4O3/c1-6-29(23(3,4)22(30)31-7-2)19-17(24)14-27-21(18(19)25)32-16-10-8-9-15(13-16)20-26-11-12-28(20)5/h8-14H,6-7H2,1-5H3
InChIKeyZWWBYUDXOSCNSC-UHFFFAOYSA-N
MW444.48 g/mol
LogP4.72
Rot. Bonds8

About ethyl 2-[[3,5-difluoro-2-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridinyl]-ethylamino]-2-methylpropanoate

ethyl 2-[[3,5-difluoro-2-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridinyl]-ethylamino]-2-methylpropanoate (PubChem CID 152727225) has the molecular formula C23H26F2N4O3 and a molecular weight of 444.48 g/mol. Its IUPAC name is ethyl 2-[[3,5-difluoro-2-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridinyl]-ethylamino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[[3,5-difluoro-2-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridinyl]-ethylamino]-2-methylpropanoate
PubChem CID152727225
Molecular FormulaC23H26F2N4O3
Molecular Weight444.48 g/mol
Exact Mass444.20
IUPAC Nameethyl 2-[[3,5-difluoro-2-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridinyl]-ethylamino]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)N(CC)c1c(F)cnc(Oc2cccc(-c3nccn3C)c2)c1F
InChIInChI=1S/C23H26F2N4O3/c1-6-29(23(3,4)22(30)31-7-2)19-17(24)14-27-21(18(19)25)32-16-10-8-9-15(13-16)20-26-11-12-28(20)5/h8-14H,6-7H2,1-5H3
InChIKeyZWWBYUDXOSCNSC-UHFFFAOYSA-N
XLogP4.72
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[3,5-difluoro-2-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridinyl]-ethylamino]-2-methylpropanoate with MolForge

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Related Compounds

ethyl 2-[[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]-ethylamino]-2-methylpropanoate
CID 135845378
ethyl 4-amino-2-[[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5-difluoro-6-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridinyl]-methylamino]-4-oxobutanoate
CID 21198444
2-[[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-difluoro-6-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridinyl]oxy]-2-methylpropanoic acid
CID 135845340
2-[2-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]propan-2-yl]pyridine
CID 140715595
3-[[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-difluoro-6-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridinyl]oxy]-4-methoxybenzoic acid
CID 135981677
ethyl 3-[[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-difluoro-6-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridinyl]oxy]-2-methylpyrrolidine-1-carboxylate
CID 152779558
3,5-dimethyl-1-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]-4-phenylpyrazole
CID 140729613
1-methyl-2-[3-(1H-pyrazol-5-yl)phenyl]imidazole;2,2,2-trifluoroacetic acid
CID 154889336
ethyl 5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxylate
CID 156881456
N-[[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]methyl]ethanamine
CID 63976634
N-[[3-fluoro-2-(3-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391179
4-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide
CID 119856092

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3,5-difluoro-2-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridinyl]-ethylamino]-2-methylpropanoate?
The IUPAC name of ethyl 2-[[3,5-difluoro-2-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridinyl]-ethylamino]-2-methylpropanoate (CID 152727225) is ethyl 2-[[3,5-difluoro-2-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridinyl]-ethylamino]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[[3,5-difluoro-2-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridinyl]-ethylamino]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[[3,5-difluoro-2-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridinyl]-ethylamino]-2-methylpropanoate is CCOC(=O)C(C)(C)N(CC)c1c(F)cnc(Oc2cccc(-c3nccn3C)c2)c1F.
What is the InChIKey of ethyl 2-[[3,5-difluoro-2-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridinyl]-ethylamino]-2-methylpropanoate?
The InChIKey is ZWWBYUDXOSCNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O3/c1-6-29(23(3,4)22(30)31-7-2)19-17(24)14-27-21(18(19)25)32-16-10-8-9-15(13-16)20-26-11-12-28(20)5/h8-14H,6-7H2,1-5H3.
What are the key properties of ethyl 2-[[3,5-difluoro-2-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridinyl]-ethylamino]-2-methylpropanoate?
ethyl 2-[[3,5-difluoro-2-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridinyl]-ethylamino]-2-methylpropanoate has a molecular weight of 444.48 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3,5-difluoro-2-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridinyl]-ethylamino]-2-methylpropanoate is sourced from PubChem (CID 152727225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).