ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1H-indol-6-yl]methoxy]phenyl]acetate

C25H25N3O3 — CID 166942945

IUPACethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1H-indol-6-yl]methoxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccccc1OCc1cc(-c2ccnc(CN)c2)c2cc[nH]c2c1
InChIInChI=1S/C25H25N3O3/c1-2-30-25(29)14-19-5-3-4-6-24(19)31-16-17-11-22(21-8-10-28-23(21)12-17)18-7-9-27-20(13-18)15-26/h3-13,28H,2,14-16,26H2,1H3
InChIKeyUEWKINROXUHGEJ-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.37
Rot. Bonds8

About ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1H-indol-6-yl]methoxy]phenyl]acetate

ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1H-indol-6-yl]methoxy]phenyl]acetate (PubChem CID 166942945) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1H-indol-6-yl]methoxy]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1H-indol-6-yl]methoxy]phenyl]acetate
PubChem CID166942945
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Nameethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1H-indol-6-yl]methoxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccccc1OCc1cc(-c2ccnc(CN)c2)c2cc[nH]c2c1
InChIInChI=1S/C25H25N3O3/c1-2-30-25(29)14-19-5-3-4-6-24(19)31-16-17-11-22(21-8-10-28-23(21)12-17)18-7-9-27-20(13-18)15-26/h3-13,28H,2,14-16,26H2,1H3
InChIKeyUEWKINROXUHGEJ-UHFFFAOYSA-N
XLogP4.37
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1H-indol-6-yl]methoxy]phenyl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 139560840
ethyl 2-[2-[[4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]-1-benzothiophen-6-yl]methoxy]phenyl]acetate
CID 139561773
methyl 2-[2-[(4-bromo-1H-indol-6-yl)methoxy]phenyl]acetate
CID 153350533
ethyl 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-2-fluoro-1-benzofuran-5-yl]methoxy]-4-ethylphenyl]acetate
CID 156569861
ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-1H-indole-6-carbonyl]amino]phenyl]acetate
CID 139561951
ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-1-phenylindol-6-yl]methoxy]phenyl]acetate
CID 139561271
ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetate
CID 139561576
ethyl 2-[2-[[7-(2-ethyl-4-pyridinyl)-3-methyl-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate
CID 157473676
lithium;2-[2-[[4-[3-(aminomethyl)phenyl]-2-chloro-1-benzofuran-6-yl]methoxy]phenyl]acetic acid;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-2-chloro-1-benzofuran-6-yl]methoxy]phenyl]acetate;hydroxide
CID 159691109
ethyl 2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetate
CID 139561313
2-[2-[2-[[4-[3-(aminomethyl)phenyl]-2-(trifluoromethyl)-1H-indol-6-yl]methoxy]phenyl]acetyl]oxyethyl-methyloxidanium
CID 163770683
ethyl 2-[2-[[7-(2-ethylphenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 157458873

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1H-indol-6-yl]methoxy]phenyl]acetate?
The IUPAC name of ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1H-indol-6-yl]methoxy]phenyl]acetate (CID 166942945) is ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1H-indol-6-yl]methoxy]phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1H-indol-6-yl]methoxy]phenyl]acetate?
The canonical SMILES for ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1H-indol-6-yl]methoxy]phenyl]acetate is CCOC(=O)Cc1ccccc1OCc1cc(-c2ccnc(CN)c2)c2cc[nH]c2c1.
What is the InChIKey of ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1H-indol-6-yl]methoxy]phenyl]acetate?
The InChIKey is UEWKINROXUHGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-2-30-25(29)14-19-5-3-4-6-24(19)31-16-17-11-22(21-8-10-28-23(21)12-17)18-7-9-27-20(13-18)15-26/h3-13,28H,2,14-16,26H2,1H3.
What are the key properties of ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1H-indol-6-yl]methoxy]phenyl]acetate?
ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1H-indol-6-yl]methoxy]phenyl]acetate has a molecular weight of 415.49 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1H-indol-6-yl]methoxy]phenyl]acetate is sourced from PubChem (CID 166942945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).