3-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid

C18H19N3O2 — CID 93209586

IUPAC3-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
SMILESCc1cnc2c(c1)nc(CCc1ccccc1)n2CCC(=O)O
InChIInChI=1S/C18H19N3O2/c1-13-11-15-18(19-12-13)21(10-9-17(22)23)16(20-15)8-7-14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H,22,23)
InChIKeyXWKZUPBVOXFCAG-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.00
Rot. Bonds6

About 3-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid

3-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid (PubChem CID 93209586) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
PubChem CID93209586
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
SMILESCc1cnc2c(c1)nc(CCc1ccccc1)n2CCC(=O)O
InChIInChI=1S/C18H19N3O2/c1-13-11-15-18(19-12-13)21(10-9-17(22)23)16(20-15)8-7-14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H,22,23)
InChIKeyXWKZUPBVOXFCAG-UHFFFAOYSA-N
XLogP3.00
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid?
The IUPAC name of 3-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid (CID 93209586) is 3-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid.
What is the SMILES notation for 3-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid?
The canonical SMILES for 3-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid is Cc1cnc2c(c1)nc(CCc1ccccc1)n2CCC(=O)O.
What is the InChIKey of 3-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid?
The InChIKey is XWKZUPBVOXFCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13-11-15-18(19-12-13)21(10-9-17(22)23)16(20-15)8-7-14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H,22,23).
What are the key properties of 3-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid?
3-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid has a molecular weight of 309.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid is sourced from PubChem (CID 93209586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).