2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetic acid

C16H15N3O2 — CID 13259027

IUPAC2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESCc1ccc(-c2nc3ccc(C)cn3c2CC(=O)O)nc1
InChIInChI=1S/C16H15N3O2/c1-10-3-5-12(17-8-10)16-13(7-15(20)21)19-9-11(2)4-6-14(19)18-16/h3-6,8-9H,7H2,1-2H3,(H,20,21)
InChIKeyXMJMYEFIASIUAK-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.64
Rot. Bonds3

About 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetic acid

2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetic acid (PubChem CID 13259027) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
PubChem CID13259027
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESCc1ccc(-c2nc3ccc(C)cn3c2CC(=O)O)nc1
InChIInChI=1S/C16H15N3O2/c1-10-3-5-12(17-8-10)16-13(7-15(20)21)19-9-11(2)4-6-14(19)18-16/h3-6,8-9H,7H2,1-2H3,(H,20,21)
InChIKeyXMJMYEFIASIUAK-UHFFFAOYSA-N
XLogP2.64
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetic acid (CID 13259027) is 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetic acid is Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)O)nc1.
What is the InChIKey of 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetic acid?
The InChIKey is XMJMYEFIASIUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-3-5-12(17-8-10)16-13(7-15(20)21)19-9-11(2)4-6-14(19)18-16/h3-6,8-9H,7H2,1-2H3,(H,20,21).
What are the key properties of 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetic acid?
2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetic acid is sourced from PubChem (CID 13259027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).