2-[5-[2-[3-(3-methoxyphenyl)phenyl]ethoxy]pyrrolo[2,3-b]pyridin-1-yl]acetic acid

C24H22N2O4 — CID 134809708

IUPAC2-[5-[2-[3-(3-methoxyphenyl)phenyl]ethoxy]pyrrolo[2,3-b]pyridin-1-yl]acetic acid
SMILESCOc1cccc(-c2cccc(CCOc3cnc4c(ccn4CC(=O)O)c3)c2)c1
InChIInChI=1S/C24H22N2O4/c1-29-21-7-3-6-19(13-21)18-5-2-4-17(12-18)9-11-30-22-14-20-8-10-26(16-23(27)28)24(20)25-15-22/h2-8,10,12-15H,9,11,16H2,1H3,(H,27,28)
InChIKeyJFJKNUZDDNXDHP-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.42
Rot. Bonds8

About 2-[5-[2-[3-(3-methoxyphenyl)phenyl]ethoxy]pyrrolo[2,3-b]pyridin-1-yl]acetic acid

2-[5-[2-[3-(3-methoxyphenyl)phenyl]ethoxy]pyrrolo[2,3-b]pyridin-1-yl]acetic acid (PubChem CID 134809708) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[5-[2-[3-(3-methoxyphenyl)phenyl]ethoxy]pyrrolo[2,3-b]pyridin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-[3-(3-methoxyphenyl)phenyl]ethoxy]pyrrolo[2,3-b]pyridin-1-yl]acetic acid
PubChem CID134809708
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2-[5-[2-[3-(3-methoxyphenyl)phenyl]ethoxy]pyrrolo[2,3-b]pyridin-1-yl]acetic acid
SMILESCOc1cccc(-c2cccc(CCOc3cnc4c(ccn4CC(=O)O)c3)c2)c1
InChIInChI=1S/C24H22N2O4/c1-29-21-7-3-6-19(13-21)18-5-2-4-17(12-18)9-11-30-22-14-20-8-10-26(16-23(27)28)24(20)25-15-22/h2-8,10,12-15H,9,11,16H2,1H3,(H,27,28)
InChIKeyJFJKNUZDDNXDHP-UHFFFAOYSA-N
XLogP4.42
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methylpyrrolo[2,3-b]pyridin-1-yl)acetic acid
CID 117223851
2-[5-[3-[3-(1,3-benzoxazol-2-yl)phenoxy]propoxy]indol-1-yl]acetic acid
CID 11597411
2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]acetic acid
CID 82063254
2-[3-fluoro-5-(3-methoxyphenyl)phenyl]acetic acid
CID 165436057
3-[3-[2-(3,4-dimethoxyphenyl)ethoxy]phenyl]benzoic acid
CID 66858506
2-(3-methoxyphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
CID 63259837
2-[5-[2-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid
CID 11349905
2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol
CID 117230603
tert-butyl N-[4-chloro-7-[[4-(3-methoxyphenyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 142750878
2-[4-methoxy-2-(3-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 117225486
4-methyl-2-[3-(2-phenylethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20991003
4-[4-[3-[3-(hydroxymethyl)phenyl]-6-(3-methoxyphenyl)carbazol-9-yl]phenoxy]butanoic acid
CID 71241990

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[3-(3-methoxyphenyl)phenyl]ethoxy]pyrrolo[2,3-b]pyridin-1-yl]acetic acid?
The IUPAC name of 2-[5-[2-[3-(3-methoxyphenyl)phenyl]ethoxy]pyrrolo[2,3-b]pyridin-1-yl]acetic acid (CID 134809708) is 2-[5-[2-[3-(3-methoxyphenyl)phenyl]ethoxy]pyrrolo[2,3-b]pyridin-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[2-[3-(3-methoxyphenyl)phenyl]ethoxy]pyrrolo[2,3-b]pyridin-1-yl]acetic acid?
The canonical SMILES for 2-[5-[2-[3-(3-methoxyphenyl)phenyl]ethoxy]pyrrolo[2,3-b]pyridin-1-yl]acetic acid is COc1cccc(-c2cccc(CCOc3cnc4c(ccn4CC(=O)O)c3)c2)c1.
What is the InChIKey of 2-[5-[2-[3-(3-methoxyphenyl)phenyl]ethoxy]pyrrolo[2,3-b]pyridin-1-yl]acetic acid?
The InChIKey is JFJKNUZDDNXDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-29-21-7-3-6-19(13-21)18-5-2-4-17(12-18)9-11-30-22-14-20-8-10-26(16-23(27)28)24(20)25-15-22/h2-8,10,12-15H,9,11,16H2,1H3,(H,27,28).
What are the key properties of 2-[5-[2-[3-(3-methoxyphenyl)phenyl]ethoxy]pyrrolo[2,3-b]pyridin-1-yl]acetic acid?
2-[5-[2-[3-(3-methoxyphenyl)phenyl]ethoxy]pyrrolo[2,3-b]pyridin-1-yl]acetic acid has a molecular weight of 402.45 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[3-(3-methoxyphenyl)phenyl]ethoxy]pyrrolo[2,3-b]pyridin-1-yl]acetic acid is sourced from PubChem (CID 134809708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).