2-[2-[[2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]acetic acid

C28H23N3O3 — CID 91421360

IUPAC2-[2-[[2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]acetic acid
SMILESCOc1cccc(-c2nc3ncc(-c4ccccc4)cc3n2Cc2ccccc2CC(=O)O)c1
InChIInChI=1S/C28H23N3O3/c1-34-24-13-7-12-21(14-24)28-30-27-25(15-23(17-29-27)19-8-3-2-4-9-19)31(28)18-22-11-6-5-10-20(22)16-26(32)33/h2-15,17H,16,18H2,1H3,(H,32,33)
InChIKeyOCIKVOUKHOEUJY-UHFFFAOYSA-N
MW449.51 g/mol
LogP5.45
Rot. Bonds7

About 2-[2-[[2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]acetic acid

2-[2-[[2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]acetic acid (PubChem CID 91421360) has the molecular formula C28H23N3O3 and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-[2-[[2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]acetic acid
PubChem CID91421360
Molecular FormulaC28H23N3O3
Molecular Weight449.51 g/mol
Exact Mass449.17
IUPAC Name2-[2-[[2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]acetic acid
SMILESCOc1cccc(-c2nc3ncc(-c4ccccc4)cc3n2Cc2ccccc2CC(=O)O)c1
InChIInChI=1S/C28H23N3O3/c1-34-24-13-7-12-21(14-24)28-30-27-25(15-23(17-29-27)19-8-3-2-4-9-19)31(28)18-22-11-6-5-10-20(22)16-26(32)33/h2-15,17H,16,18H2,1H3,(H,32,33)
InChIKeyOCIKVOUKHOEUJY-UHFFFAOYSA-N
XLogP5.45
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]acetic acid with MolForge

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Related Compounds

2-(3-methoxyphenyl)-1-(3-phenoxypropyl)-6-phenylimidazo[4,5-b]pyridine
CID 23026037
2-(3-methoxyphenyl)-6-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine
CID 23025908
1-(cyclohexylmethyl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine
CID 23025801
2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556
2-[4-methoxy-2-(3-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 117225486
5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole
CID 134083884
2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560569
2-(3-methoxyphenyl)-3,5-diphenylpyridine
CID 57041799
1-[4,5-dibromo-2-(3-methoxyphenyl)imidazol-1-yl]-4-methylpentan-2-one
CID 159499235
1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001690
2-(3-methoxyphenyl)-3-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 4134213
2-(3-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 17001765

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]acetic acid (CID 91421360) is 2-[2-[[2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]acetic acid is COc1cccc(-c2nc3ncc(-c4ccccc4)cc3n2Cc2ccccc2CC(=O)O)c1.
What is the InChIKey of 2-[2-[[2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]acetic acid?
The InChIKey is OCIKVOUKHOEUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3/c1-34-24-13-7-12-21(14-24)28-30-27-25(15-23(17-29-27)19-8-3-2-4-9-19)31(28)18-22-11-6-5-10-20(22)16-26(32)33/h2-15,17H,16,18H2,1H3,(H,32,33).
What are the key properties of 2-[2-[[2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]acetic acid?
2-[2-[[2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]acetic acid has a molecular weight of 449.51 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]acetic acid is sourced from PubChem (CID 91421360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).