6-bromo-N-(2-methoxyethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazo[1,2-a]pyridin-3-amine

C14H16BrN5O — CID 155540975

IUPAC6-bromo-N-(2-methoxyethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCOCCNc1c(-c2nc[nH]c2C)nc2ccc(Br)cn12
InChIInChI=1S/C14H16BrN5O/c1-9-12(18-8-17-9)13-14(16-5-6-21-2)20-7-10(15)3-4-11(20)19-13/h3-4,7-8,16H,5-6H2,1-2H3,(H,17,18)
InChIKeyNCLOKIBCPMIQJE-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.85
Rot. Bonds5

About 6-bromo-N-(2-methoxyethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazo[1,2-a]pyridin-3-amine

6-bromo-N-(2-methoxyethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 155540975) has the molecular formula C14H16BrN5O and a molecular weight of 350.22 g/mol. Its IUPAC name is 6-bromo-N-(2-methoxyethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-(2-methoxyethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID155540975
Molecular FormulaC14H16BrN5O
Molecular Weight350.22 g/mol
Exact Mass349.05
IUPAC Name6-bromo-N-(2-methoxyethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCOCCNc1c(-c2nc[nH]c2C)nc2ccc(Br)cn12
InChIInChI=1S/C14H16BrN5O/c1-9-12(18-8-17-9)13-14(16-5-6-21-2)20-7-10(15)3-4-11(20)19-13/h3-4,7-8,16H,5-6H2,1-2H3,(H,17,18)
InChIKeyNCLOKIBCPMIQJE-UHFFFAOYSA-N
XLogP2.85
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-methoxyethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-N-(2-methoxyethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazo[1,2-a]pyridin-3-amine (CID 155540975) is 6-bromo-N-(2-methoxyethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-N-(2-methoxyethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-N-(2-methoxyethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazo[1,2-a]pyridin-3-amine is COCCNc1c(-c2nc[nH]c2C)nc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-N-(2-methoxyethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is NCLOKIBCPMIQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5O/c1-9-12(18-8-17-9)13-14(16-5-6-21-2)20-7-10(15)3-4-11(20)19-13/h3-4,7-8,16H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 6-bromo-N-(2-methoxyethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazo[1,2-a]pyridin-3-amine?
6-bromo-N-(2-methoxyethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 350.22 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-methoxyethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 155540975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).