2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]acetic acid

C22H21FN4O4 — CID 122640718

IUPAC2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]acetic acid
SMILESCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)cnc3n2CC(=O)O)cc1F
InChIInChI=1S/C22H21FN4O4/c1-12-21(13(2)31-26-12)15-9-17-22(24-10-15)27(11-20(28)29)19(25-17)7-5-14-4-6-18(30-3)16(23)8-14/h4,6,8-10H,5,7,11H2,1-3H3,(H,28,29)
InChIKeyXEBQMVSVJBGUIP-UHFFFAOYSA-N
MW424.43 g/mol
LogP3.72
Rot. Bonds7

About 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]acetic acid

2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]acetic acid (PubChem CID 122640718) has the molecular formula C22H21FN4O4 and a molecular weight of 424.43 g/mol. Its IUPAC name is 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]acetic acid
PubChem CID122640718
Molecular FormulaC22H21FN4O4
Molecular Weight424.43 g/mol
Exact Mass424.15
IUPAC Name2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]acetic acid
SMILESCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)cnc3n2CC(=O)O)cc1F
InChIInChI=1S/C22H21FN4O4/c1-12-21(13(2)31-26-12)15-9-17-22(24-10-15)27(11-20(28)29)19(25-17)7-5-14-4-6-18(30-3)16(23)8-14/h4,6,8-10H,5,7,11H2,1-3H3,(H,28,29)
InChIKeyXEBQMVSVJBGUIP-UHFFFAOYSA-N
XLogP3.72
TPSA103.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]acetic acid (CID 122640718) is 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]acetic acid is COc1ccc(CCc2nc3cc(-c4c(C)noc4C)cnc3n2CC(=O)O)cc1F.
What is the InChIKey of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]acetic acid?
The InChIKey is XEBQMVSVJBGUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O4/c1-12-21(13(2)31-26-12)15-9-17-22(24-10-15)27(11-20(28)29)19(25-17)7-5-14-4-6-18(30-3)16(23)8-14/h4,6,8-10H,5,7,11H2,1-3H3,(H,28,29).
What are the key properties of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]acetic acid?
2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]acetic acid has a molecular weight of 424.43 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]acetic acid is sourced from PubChem (CID 122640718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).