3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]propanoic acid

C16H15N3O2 — CID 57188942

IUPAC3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]propanoic acid
SMILESCc1nc2cnccc2n1-c1ccc(CCC(=O)O)cc1
InChIInChI=1S/C16H15N3O2/c1-11-18-14-10-17-9-8-15(14)19(11)13-5-2-12(3-6-13)4-7-16(20)21/h2-3,5-6,8-10H,4,7H2,1H3,(H,20,21)
InChIKeyLYOHHNDBVWOLLZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.75
Rot. Bonds4

About 3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]propanoic acid

3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]propanoic acid (PubChem CID 57188942) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]propanoic acid
PubChem CID57188942
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]propanoic acid
SMILESCc1nc2cnccc2n1-c1ccc(CCC(=O)O)cc1
InChIInChI=1S/C16H15N3O2/c1-11-18-14-10-17-9-8-15(14)19(11)13-5-2-12(3-6-13)4-7-16(20)21/h2-3,5-6,8-10H,4,7H2,1H3,(H,20,21)
InChIKeyLYOHHNDBVWOLLZ-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]propanoic acid?
The IUPAC name of 3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]propanoic acid (CID 57188942) is 3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]propanoic acid is Cc1nc2cnccc2n1-c1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]propanoic acid?
The InChIKey is LYOHHNDBVWOLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-18-14-10-17-9-8-15(14)19(11)13-5-2-12(3-6-13)4-7-16(20)21/h2-3,5-6,8-10H,4,7H2,1H3,(H,20,21).
What are the key properties of 3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]propanoic acid?
3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]propanoic acid has a molecular weight of 281.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]propanoic acid is sourced from PubChem (CID 57188942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).