5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide;5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid

C18H15Br2N5O5 — CID 167613235

IUPAC5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide;5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCOc1cc(Br)n2c(C(=O)O)cnc2c1.COc1cc(Br)n2c(C(N)=O)cnc2c1
InChIInChI=1S/C9H8BrN3O2.C9H7BrN2O3/c1-15-5-2-7(10)13-6(9(11)14)4-12-8(13)3-5;1-15-5-2-7(10)12-6(9(13)14)4-11-8(12)3-5/h2-4H,1H3,(H2,11,14);2-4H,1H3,(H,13,14)
InChIKeyLJBUBYQZYGEVPU-UHFFFAOYSA-N
MW541.16 g/mol
LogP3.01
Rot. Bonds4

About 5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide;5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid

5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide;5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 167613235) has the molecular formula C18H15Br2N5O5 and a molecular weight of 541.16 g/mol. Its IUPAC name is 5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide;5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide;5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID167613235
Molecular FormulaC18H15Br2N5O5
Molecular Weight541.16 g/mol
Exact Mass538.94
IUPAC Name5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide;5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCOc1cc(Br)n2c(C(=O)O)cnc2c1.COc1cc(Br)n2c(C(N)=O)cnc2c1
InChIInChI=1S/C9H8BrN3O2.C9H7BrN2O3/c1-15-5-2-7(10)13-6(9(11)14)4-12-8(13)3-5;1-15-5-2-7(10)12-6(9(13)14)4-11-8(12)3-5/h2-4H,1H3,(H2,11,14);2-4H,1H3,(H,13,14)
InChIKeyLJBUBYQZYGEVPU-UHFFFAOYSA-N
XLogP3.01
TPSA133.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.16
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 130064939
5-chloro-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 130064894
1,3,5-trimethoxybenzene;urea
CID 174919725
2-(2,4,6-trimethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62252679
3-bromoimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 118704521
1-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid
CID 114201547
5-aminoimidazo[1,2-a]pyridine-3-carboxylic acid
CID 19609393
2-(3-methoxyphenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190487
7-bromo-5-methoxypyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 83488501
7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 67252366
2-(4-bromophenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190511
5-(3-carbamoyl-5-methoxyphenoxy)pyridine-2-carboxylic acid
CID 103566619

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide;5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide;5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid (CID 167613235) is 5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide;5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide;5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide;5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid is COc1cc(Br)n2c(C(=O)O)cnc2c1.COc1cc(Br)n2c(C(N)=O)cnc2c1.
What is the InChIKey of 5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide;5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is LJBUBYQZYGEVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2.C9H7BrN2O3/c1-15-5-2-7(10)13-6(9(11)14)4-12-8(13)3-5;1-15-5-2-7(10)12-6(9(13)14)4-11-8(12)3-5/h2-4H,1H3,(H2,11,14);2-4H,1H3,(H,13,14).
What are the key properties of 5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide;5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid?
5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide;5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 541.16 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide;5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 167613235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).