3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanoic acid

C17H17N3O3 — CID 3241296

IUPAC3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanoic acid
SMILESCOc1ccc(Cn2c(CCC(=O)O)nc3cccnc32)cc1
InChIInChI=1S/C17H17N3O3/c1-23-13-6-4-12(5-7-13)11-20-15(8-9-16(21)22)19-14-3-2-10-18-17(14)20/h2-7,10H,8-9,11H2,1H3,(H,21,22)
InChIKeyXMVSTUOBFUCFGQ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.51
Rot. Bonds6

About 3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanoic acid

3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanoic acid (PubChem CID 3241296) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanoic acid
PubChem CID3241296
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanoic acid
SMILESCOc1ccc(Cn2c(CCC(=O)O)nc3cccnc32)cc1
InChIInChI=1S/C17H17N3O3/c1-23-13-6-4-12(5-7-13)11-20-15(8-9-16(21)22)19-14-3-2-10-18-17(14)20/h2-7,10H,8-9,11H2,1H3,(H,21,22)
InChIKeyXMVSTUOBFUCFGQ-UHFFFAOYSA-N
XLogP2.51
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanoic acid?
The IUPAC name of 3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanoic acid (CID 3241296) is 3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanoic acid.
What is the SMILES notation for 3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanoic acid?
The canonical SMILES for 3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanoic acid is COc1ccc(Cn2c(CCC(=O)O)nc3cccnc32)cc1.
What is the InChIKey of 3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanoic acid?
The InChIKey is XMVSTUOBFUCFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-23-13-6-4-12(5-7-13)11-20-15(8-9-16(21)22)19-14-3-2-10-18-17(14)20/h2-7,10H,8-9,11H2,1H3,(H,21,22).
What are the key properties of 3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanoic acid?
3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanoic acid has a molecular weight of 311.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanoic acid is sourced from PubChem (CID 3241296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).