2-[3-(azepan-1-ylmethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]acetic acid

C17H23N3O2 — CID 39119717

IUPAC2-[3-(azepan-1-ylmethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]acetic acid
SMILESCc1ccc2nc(CC(=O)O)c(CN3CCCCCC3)n2c1
InChIInChI=1S/C17H23N3O2/c1-13-6-7-16-18-14(10-17(21)22)15(20(16)11-13)12-19-8-4-2-3-5-9-19/h6-7,11H,2-5,8-10,12H2,1H3,(H,21,22)
InChIKeyUIYYIVYIEIRJMI-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.65
Rot. Bonds4

About 2-[3-(azepan-1-ylmethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]acetic acid

2-[3-(azepan-1-ylmethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]acetic acid (PubChem CID 39119717) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[3-(azepan-1-ylmethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(azepan-1-ylmethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]acetic acid
PubChem CID39119717
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[3-(azepan-1-ylmethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]acetic acid
SMILESCc1ccc2nc(CC(=O)O)c(CN3CCCCCC3)n2c1
InChIInChI=1S/C17H23N3O2/c1-13-6-7-16-18-14(10-17(21)22)15(20(16)11-13)12-19-8-4-2-3-5-9-19/h6-7,11H,2-5,8-10,12H2,1H3,(H,21,22)
InChIKeyUIYYIVYIEIRJMI-UHFFFAOYSA-N
XLogP2.65
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(azepan-1-ylmethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]acetic acid?
The IUPAC name of 2-[3-(azepan-1-ylmethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]acetic acid (CID 39119717) is 2-[3-(azepan-1-ylmethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[3-(azepan-1-ylmethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[3-(azepan-1-ylmethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]acetic acid is Cc1ccc2nc(CC(=O)O)c(CN3CCCCCC3)n2c1.
What is the InChIKey of 2-[3-(azepan-1-ylmethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]acetic acid?
The InChIKey is UIYYIVYIEIRJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-6-7-16-18-14(10-17(21)22)15(20(16)11-13)12-19-8-4-2-3-5-9-19/h6-7,11H,2-5,8-10,12H2,1H3,(H,21,22).
What are the key properties of 2-[3-(azepan-1-ylmethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]acetic acid?
2-[3-(azepan-1-ylmethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]acetic acid has a molecular weight of 301.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(azepan-1-ylmethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]acetic acid is sourced from PubChem (CID 39119717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).