4-(6-bromo-7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclohexane-1-carboxylic acid

C15H17BrN2O3 — CID 155438682

IUPAC4-(6-bromo-7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclohexane-1-carboxylic acid
SMILESCOc1cc2nc(C3CCC(C(=O)O)CC3)cn2cc1Br
InChIInChI=1S/C15H17BrN2O3/c1-21-13-6-14-17-12(8-18(14)7-11(13)16)9-2-4-10(5-3-9)15(19)20/h6-10H,2-5H2,1H3,(H,19,20)
InChIKeySEAICRXVHAQYSV-UHFFFAOYSA-N
MW353.22 g/mol
LogP3.46
Rot. Bonds3

About 4-(6-bromo-7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclohexane-1-carboxylic acid

4-(6-bromo-7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 155438682) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is 4-(6-bromo-7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-bromo-7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclohexane-1-carboxylic acid
PubChem CID155438682
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Name4-(6-bromo-7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclohexane-1-carboxylic acid
SMILESCOc1cc2nc(C3CCC(C(=O)O)CC3)cn2cc1Br
InChIInChI=1S/C15H17BrN2O3/c1-21-13-6-14-17-12(8-18(14)7-11(13)16)9-2-4-10(5-3-9)15(19)20/h6-10H,2-5H2,1H3,(H,19,20)
InChIKeySEAICRXVHAQYSV-UHFFFAOYSA-N
XLogP3.46
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(6-bromo-7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclohexane-1-carboxylic acid (CID 155438682) is 4-(6-bromo-7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(6-bromo-7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(6-bromo-7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclohexane-1-carboxylic acid is COc1cc2nc(C3CCC(C(=O)O)CC3)cn2cc1Br.
What is the InChIKey of 4-(6-bromo-7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is SEAICRXVHAQYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c1-21-13-6-14-17-12(8-18(14)7-11(13)16)9-2-4-10(5-3-9)15(19)20/h6-10H,2-5H2,1H3,(H,19,20).
What are the key properties of 4-(6-bromo-7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclohexane-1-carboxylic acid?
4-(6-bromo-7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 353.22 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 155438682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).