2-[2-[[7-[3-(aminomethyl)phenyl]furo[3,2-b]pyridin-5-yl]methoxy]phenyl]acetic acid

C23H20N2O4 — CID 139559991

IUPAC2-[2-[[7-[3-(aminomethyl)phenyl]furo[3,2-b]pyridin-5-yl]methoxy]phenyl]acetic acid
SMILESNCc1cccc(-c2cc(COc3ccccc3CC(=O)O)nc3ccoc23)c1
InChIInChI=1S/C23H20N2O4/c24-13-15-4-3-6-16(10-15)19-12-18(25-20-8-9-28-23(19)20)14-29-21-7-2-1-5-17(21)11-22(26)27/h1-10,12H,11,13-14,24H2,(H,26,27)
InChIKeyBKHSDAQFTNQYPW-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.16
Rot. Bonds7

About 2-[2-[[7-[3-(aminomethyl)phenyl]furo[3,2-b]pyridin-5-yl]methoxy]phenyl]acetic acid

2-[2-[[7-[3-(aminomethyl)phenyl]furo[3,2-b]pyridin-5-yl]methoxy]phenyl]acetic acid (PubChem CID 139559991) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[2-[[7-[3-(aminomethyl)phenyl]furo[3,2-b]pyridin-5-yl]methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[7-[3-(aminomethyl)phenyl]furo[3,2-b]pyridin-5-yl]methoxy]phenyl]acetic acid
PubChem CID139559991
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name2-[2-[[7-[3-(aminomethyl)phenyl]furo[3,2-b]pyridin-5-yl]methoxy]phenyl]acetic acid
SMILESNCc1cccc(-c2cc(COc3ccccc3CC(=O)O)nc3ccoc23)c1
InChIInChI=1S/C23H20N2O4/c24-13-15-4-3-6-16(10-15)19-12-18(25-20-8-9-28-23(19)20)14-29-21-7-2-1-5-17(21)11-22(26)27/h1-10,12H,11,13-14,24H2,(H,26,27)
InChIKeyBKHSDAQFTNQYPW-UHFFFAOYSA-N
XLogP4.16
TPSA98.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[7-[3-(aminomethyl)phenyl]furo[3,2-b]pyridin-5-yl]methoxy]phenyl]acetic acid 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

2-[2-[[7-[3-(aminomethyl)phenyl]-4-fluoro-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560903
2-[2-[[2-(2-aminoethyl)-7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560638
2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]methoxy]phenyl]acetic acid;ethanol
CID 144778131
2-[2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]-4,5-dimethylphenyl]acetic acid
CID 139560861
2-[2-[[7-[3-(aminomethyl)phenyl]-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560496
2-[2-[[7-[3-(aminomethyl)phenyl]-2-(trifluoromethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560016
2-[2-[[7-[3-(aminomethyl)phenyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560010
2-[2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]-5-cyclopropylphenyl]acetic acid
CID 139560613
2-[6-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]-1-benzofuran-5-yl]acetic acid;ethane
CID 153350494
2-[2-[[7-[3-(aminomethyl)phenyl]-2-[(benzylamino)methyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560953
lithium;[3-(aminomethyl)-2-fluorophenyl]boronic acid;2-[2-[[7-[3-(aminomethyl)-2-fluorophenyl]furo[3,2-b]pyridin-5-yl]methoxy]phenyl]acetic acid;ethyl 2-[2-[[7-[3-(aminomethyl)-2-fluorophenyl]furo[3,2-b]pyridin-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(7-bromofuro[3,2-b]pyridin-5-yl)methoxy]phenyl]acetate;hydroxide;hydrochloride
CID 160970252
2-[2-[[7-(1-aminoisoquinolin-7-yl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560902

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[7-[3-(aminomethyl)phenyl]furo[3,2-b]pyridin-5-yl]methoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[[7-[3-(aminomethyl)phenyl]furo[3,2-b]pyridin-5-yl]methoxy]phenyl]acetic acid (CID 139559991) is 2-[2-[[7-[3-(aminomethyl)phenyl]furo[3,2-b]pyridin-5-yl]methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[7-[3-(aminomethyl)phenyl]furo[3,2-b]pyridin-5-yl]methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[7-[3-(aminomethyl)phenyl]furo[3,2-b]pyridin-5-yl]methoxy]phenyl]acetic acid is NCc1cccc(-c2cc(COc3ccccc3CC(=O)O)nc3ccoc23)c1.
What is the InChIKey of 2-[2-[[7-[3-(aminomethyl)phenyl]furo[3,2-b]pyridin-5-yl]methoxy]phenyl]acetic acid?
The InChIKey is BKHSDAQFTNQYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c24-13-15-4-3-6-16(10-15)19-12-18(25-20-8-9-28-23(19)20)14-29-21-7-2-1-5-17(21)11-22(26)27/h1-10,12H,11,13-14,24H2,(H,26,27).
What are the key properties of 2-[2-[[7-[3-(aminomethyl)phenyl]furo[3,2-b]pyridin-5-yl]methoxy]phenyl]acetic acid?
2-[2-[[7-[3-(aminomethyl)phenyl]furo[3,2-b]pyridin-5-yl]methoxy]phenyl]acetic acid has a molecular weight of 388.42 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[7-[3-(aminomethyl)phenyl]furo[3,2-b]pyridin-5-yl]methoxy]phenyl]acetic acid is sourced from PubChem (CID 139559991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).