2-(3-chlorophenyl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]acetic acid

C31H36ClN3O3 — CID 18950586

IUPAC2-(3-chlorophenyl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]acetic acid
SMILESCCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc(CCC)c1OC(C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C31H36ClN3O3/c1-6-10-22-15-21(18-35-26(8-3)34-27-19(4)14-20(5)33-30(27)35)16-23(11-7-2)28(22)38-29(31(36)37)24-12-9-13-25(32)17-24/h9,12-17,29H,6-8,10-11,18H2,1-5H3,(H,36,37)
InChIKeyYMYTZPFVYVJDMW-UHFFFAOYSA-N
MW534.10 g/mol
LogP7.42
Rot. Bonds11

About 2-(3-chlorophenyl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]acetic acid

2-(3-chlorophenyl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]acetic acid (PubChem CID 18950586) has the molecular formula C31H36ClN3O3 and a molecular weight of 534.10 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]acetic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]acetic acid
PubChem CID18950586
Molecular FormulaC31H36ClN3O3
Molecular Weight534.10 g/mol
Exact Mass533.24
IUPAC Name2-(3-chlorophenyl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]acetic acid
SMILESCCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc(CCC)c1OC(C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C31H36ClN3O3/c1-6-10-22-15-21(18-35-26(8-3)34-27-19(4)14-20(5)33-30(27)35)16-23(11-7-2)28(22)38-29(31(36)37)24-12-9-13-25(32)17-24/h9,12-17,29H,6-8,10-11,18H2,1-5H3,(H,36,37)
InChIKeyYMYTZPFVYVJDMW-UHFFFAOYSA-N
XLogP7.42
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.10
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-chlorophenyl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]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

alpha-((1-((2-Ethyl-5,7-dimethylimidazo(4,5-b)pyridin-3-yl)methyl)-3,5-dipropylphenyl-4-yl)oxy)phenylacetic acid
CID 192626
[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-2,6-dipropyl-phenoxy]-m-tolyl-acetic acid
CID 18950608
(2-Chloro-phenyl)-[4-(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-2,6-dipropyl-phenoxy]-acetic acid
CID 18950609
[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-2,6-dipropyl-phenoxy]-(3-phenoxy-phenyl)-acetic acid
CID 44348153
[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-2,6-dipropyl-phenoxy]-p-tolyl-acetic acid
CID 18950592
[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-2,6-dipropyl-phenoxy]-o-tolyl-acetic acid
CID 18950598
4-[1-Methyl-2-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-5-yl]oxycyclohexane-1-carboxylic acid
CID 162676098
Biphenyl-3-yl-[4-(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-2,6-dipropyl-phenoxy]-acetic acid
CID 44348259
[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-2,6-dipropyl-phenoxy]-(4-ethyl-phenyl)-acetic acid
CID 44348302
[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-2,6-dipropyl-phenoxy]-(4-phenoxy-phenyl)-acetic acid
CID 44348355
2-(4-Chlorophenyl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]acetic acid
CID 44348408
[2,6-Dichloro-4-(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenoxy]-phenyl-acetic acid
CID 9805344

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]acetic acid?
The IUPAC name of 2-(3-chlorophenyl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]acetic acid (CID 18950586) is 2-(3-chlorophenyl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]acetic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]acetic acid?
The canonical SMILES for 2-(3-chlorophenyl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]acetic acid is CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc(CCC)c1OC(C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]acetic acid?
The InChIKey is YMYTZPFVYVJDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36ClN3O3/c1-6-10-22-15-21(18-35-26(8-3)34-27-19(4)14-20(5)33-30(27)35)16-23(11-7-2)28(22)38-29(31(36)37)24-12-9-13-25(32)17-24/h9,12-17,29H,6-8,10-11,18H2,1-5H3,(H,36,37).
What are the key properties of 2-(3-chlorophenyl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]acetic acid?
2-(3-chlorophenyl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]acetic acid has a molecular weight of 534.10 g/mol, XLogP of 7.42, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]acetic acid is sourced from PubChem (CID 18950586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).