4-[6-bromo-2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]butanoic acid

C12H14BrN3O3 — CID 82070623

IUPAC4-[6-bromo-2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]butanoic acid
SMILESCOCc1nc2cc(Br)cnc2n1CCCC(=O)O
InChIInChI=1S/C12H14BrN3O3/c1-19-7-10-15-9-5-8(13)6-14-12(9)16(10)4-2-3-11(17)18/h5-6H,2-4,7H2,1H3,(H,17,18)
InChIKeyXKVSFEPNSKQLTO-UHFFFAOYSA-N
MW328.17 g/mol
LogP2.20
Rot. Bonds6

About 4-[6-bromo-2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]butanoic acid

4-[6-bromo-2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]butanoic acid (PubChem CID 82070623) has the molecular formula C12H14BrN3O3 and a molecular weight of 328.17 g/mol. Its IUPAC name is 4-[6-bromo-2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]butanoic acid.

Molecular Properties

Compound Name4-[6-bromo-2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]butanoic acid
PubChem CID82070623
Molecular FormulaC12H14BrN3O3
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC Name4-[6-bromo-2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]butanoic acid
SMILESCOCc1nc2cc(Br)cnc2n1CCCC(=O)O
InChIInChI=1S/C12H14BrN3O3/c1-19-7-10-15-9-5-8(13)6-14-12(9)16(10)4-2-3-11(17)18/h5-6H,2-4,7H2,1H3,(H,17,18)
InChIKeyXKVSFEPNSKQLTO-UHFFFAOYSA-N
XLogP2.20
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[6-bromo-2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-bromo-2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]butanoic acid?
The IUPAC name of 4-[6-bromo-2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]butanoic acid (CID 82070623) is 4-[6-bromo-2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]butanoic acid.
What is the SMILES notation for 4-[6-bromo-2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]butanoic acid?
The canonical SMILES for 4-[6-bromo-2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]butanoic acid is COCc1nc2cc(Br)cnc2n1CCCC(=O)O.
What is the InChIKey of 4-[6-bromo-2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]butanoic acid?
The InChIKey is XKVSFEPNSKQLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O3/c1-19-7-10-15-9-5-8(13)6-14-12(9)16(10)4-2-3-11(17)18/h5-6H,2-4,7H2,1H3,(H,17,18).
What are the key properties of 4-[6-bromo-2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]butanoic acid?
4-[6-bromo-2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]butanoic acid has a molecular weight of 328.17 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-bromo-2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]butanoic acid is sourced from PubChem (CID 82070623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).