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

C32H39N3O4 — CID 19010502

IUPAC2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]-2-(4-methoxyphenyl)acetic acid
SMILESCCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc(CCC)c1OC(C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C32H39N3O4/c1-7-10-24-17-22(19-35-27(9-3)34-28-20(4)16-21(5)33-31(28)35)18-25(11-8-2)29(24)39-30(32(36)37)23-12-14-26(38-6)15-13-23/h12-18,30H,7-11,19H2,1-6H3,(H,36,37)
InChIKeyHRZNHZULDJRKLH-UHFFFAOYSA-N
MW529.68 g/mol
LogP6.78
Rot. Bonds12

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

2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]-2-(4-methoxyphenyl)acetic acid (PubChem CID 19010502) has the molecular formula C32H39N3O4 and a molecular weight of 529.68 g/mol. Its IUPAC name is 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]-2-(4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]-2-(4-methoxyphenyl)acetic acid
PubChem CID19010502
Molecular FormulaC32H39N3O4
Molecular Weight529.68 g/mol
Exact Mass529.29
IUPAC Name2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]-2-(4-methoxyphenyl)acetic acid
SMILESCCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc(CCC)c1OC(C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C32H39N3O4/c1-7-10-24-17-22(19-35-27(9-3)34-28-20(4)16-21(5)33-31(28)35)18-25(11-8-2)29(24)39-30(32(36)37)23-12-14-26(38-6)15-13-23/h12-18,30H,7-11,19H2,1-6H3,(H,36,37)
InChIKeyHRZNHZULDJRKLH-UHFFFAOYSA-N
XLogP6.78
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.68
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

ethyl 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-(4-methoxyphenyl)propanoate
CID 10504594
2-[2-chloro-4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-6-prop-2-enylphenoxy]-2-phenylacetic acid
CID 18950607
diethyl 2-[1-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]ethyl]propanedioate
CID 10647248
2-bromo-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-phenylpropanoic acid
CID 10624963
3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-methylsulfonyl-3-phenylpropanamide
CID 10505227
ethyl 3-(2,4-difluorophenyl)-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]propanoate
CID 10600694
methyl 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylanilino]-2-phenylacetate
CID 10412444
2-(3-chlorophenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid
CID 15287885
2-chloro-3-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]methyl]benzoic acid
CID 67794000
methyl 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2-fluoroprop-2-enoate
CID 69005640
4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline
CID 23156166
methyl 2-[[2-chloro-4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-6-methoxyphenoxy]methyl]benzoate
CID 67793482

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]-2-(4-methoxyphenyl)acetic acid?
The IUPAC name of 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]-2-(4-methoxyphenyl)acetic acid (CID 19010502) is 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]-2-(4-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]-2-(4-methoxyphenyl)acetic acid?
The canonical SMILES for 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]-2-(4-methoxyphenyl)acetic acid is CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc(CCC)c1OC(C(=O)O)c1ccc(OC)cc1.
What is the InChIKey of 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]-2-(4-methoxyphenyl)acetic acid?
The InChIKey is HRZNHZULDJRKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O4/c1-7-10-24-17-22(19-35-27(9-3)34-28-20(4)16-21(5)33-31(28)35)18-25(11-8-2)29(24)39-30(32(36)37)23-12-14-26(38-6)15-13-23/h12-18,30H,7-11,19H2,1-6H3,(H,36,37).
What are the key properties of 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]-2-(4-methoxyphenyl)acetic acid?
2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]-2-(4-methoxyphenyl)acetic acid has a molecular weight of 529.68 g/mol, XLogP of 6.78, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]-2-(4-methoxyphenyl)acetic acid is sourced from PubChem (CID 19010502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).