6-bromo-2-imidazo[1,2-a]pyridin-6-yl-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-3-amine

C17H16BrN5O — CID 155564083

IUPAC6-bromo-2-imidazo[1,2-a]pyridin-6-yl-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-3-amine
SMILESCOCCNc1c(-c2ccc3nccn3c2)nc2ccc(Br)cn12
InChIInChI=1S/C17H16BrN5O/c1-24-9-7-20-17-16(21-15-5-3-13(18)11-23(15)17)12-2-4-14-19-6-8-22(14)10-12/h2-6,8,10-11,20H,7,9H2,1H3
InChIKeyJQKBMVLJVOMTLG-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.47
Rot. Bonds5

About 6-bromo-2-imidazo[1,2-a]pyridin-6-yl-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-3-amine

6-bromo-2-imidazo[1,2-a]pyridin-6-yl-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 155564083) has the molecular formula C17H16BrN5O and a molecular weight of 386.25 g/mol. Its IUPAC name is 6-bromo-2-imidazo[1,2-a]pyridin-6-yl-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-2-imidazo[1,2-a]pyridin-6-yl-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID155564083
Molecular FormulaC17H16BrN5O
Molecular Weight386.25 g/mol
Exact Mass385.05
IUPAC Name6-bromo-2-imidazo[1,2-a]pyridin-6-yl-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-3-amine
SMILESCOCCNc1c(-c2ccc3nccn3c2)nc2ccc(Br)cn12
InChIInChI=1S/C17H16BrN5O/c1-24-9-7-20-17-16(21-15-5-3-13(18)11-23(15)17)12-2-4-14-19-6-8-22(14)10-12/h2-6,8,10-11,20H,7,9H2,1H3
InChIKeyJQKBMVLJVOMTLG-UHFFFAOYSA-N
XLogP3.47
TPSA55.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-bromo-2-imidazo[1,2-a]pyridin-6-yl-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-3-amine 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 6-bromo-2-imidazo[1,2-a]pyridin-6-yl-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-2-imidazo[1,2-a]pyridin-6-yl-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-3-amine (CID 155564083) is 6-bromo-2-imidazo[1,2-a]pyridin-6-yl-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-2-imidazo[1,2-a]pyridin-6-yl-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-2-imidazo[1,2-a]pyridin-6-yl-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-3-amine is COCCNc1c(-c2ccc3nccn3c2)nc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-2-imidazo[1,2-a]pyridin-6-yl-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is JQKBMVLJVOMTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O/c1-24-9-7-20-17-16(21-15-5-3-13(18)11-23(15)17)12-2-4-14-19-6-8-22(14)10-12/h2-6,8,10-11,20H,7,9H2,1H3.
What are the key properties of 6-bromo-2-imidazo[1,2-a]pyridin-6-yl-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-3-amine?
6-bromo-2-imidazo[1,2-a]pyridin-6-yl-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 386.25 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-imidazo[1,2-a]pyridin-6-yl-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 155564083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).