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

C16H15N3O2 — CID 82061511

IUPAC3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid
SMILESCc1cnc2c(c1)nc(-c1ccccc1)n2CCC(=O)O
InChIInChI=1S/C16H15N3O2/c1-11-9-13-16(17-10-11)19(8-7-14(20)21)15(18-13)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,20,21)
InChIKeyZVGWJLYZTNQDHI-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.88
Rot. Bonds4

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

3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid (PubChem CID 82061511) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid
PubChem CID82061511
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid
SMILESCc1cnc2c(c1)nc(-c1ccccc1)n2CCC(=O)O
InChIInChI=1S/C16H15N3O2/c1-11-9-13-16(17-10-11)19(8-7-14(20)21)15(18-13)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,20,21)
InChIKeyZVGWJLYZTNQDHI-UHFFFAOYSA-N
XLogP2.88
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.88
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-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
The IUPAC name of 3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid (CID 82061511) is 3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
The canonical SMILES for 3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid is Cc1cnc2c(c1)nc(-c1ccccc1)n2CCC(=O)O.
What is the InChIKey of 3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
The InChIKey is ZVGWJLYZTNQDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-9-13-16(17-10-11)19(8-7-14(20)21)15(18-13)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,20,21).
What are the key properties of 3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid has a molecular weight of 281.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 82061511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).