ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylate

C27H26BrN5O5 — CID 160899856

IUPACethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3cc(C)c(=O)n(C)c3)cn12.CCOC(=O)c1cnc2ccc(Br)cn12
InChIInChI=1S/C17H17N3O3.C10H9BrN2O2/c1-4-23-17(22)14-8-18-15-6-5-12(10-20(14)15)13-7-11(2)16(21)19(3)9-13;1-2-15-10(14)8-5-12-9-4-3-7(11)6-13(8)9/h5-10H,4H2,1-3H3;3-6H,2H2,1H3
InChIKeySPIZFTKUIBMMRE-UHFFFAOYSA-N
MW580.44 g/mol
LogP4.46
Rot. Bonds5

About ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 160899856) has the molecular formula C27H26BrN5O5 and a molecular weight of 580.44 g/mol. Its IUPAC name is ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID160899856
Molecular FormulaC27H26BrN5O5
Molecular Weight580.44 g/mol
Exact Mass579.11
IUPAC Nameethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3cc(C)c(=O)n(C)c3)cn12.CCOC(=O)c1cnc2ccc(Br)cn12
InChIInChI=1S/C17H17N3O3.C10H9BrN2O2/c1-4-23-17(22)14-8-18-15-6-5-12(10-20(14)15)13-7-11(2)16(21)19(3)9-13;1-2-15-10(14)8-5-12-9-4-3-7(11)6-13(8)9/h5-10H,4H2,1-3H3;3-6H,2H2,1H3
InChIKeySPIZFTKUIBMMRE-UHFFFAOYSA-N
XLogP4.46
TPSA109.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.44
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl (E)-4-(1-benzyl-2,4-dioxopurino[7,8-a]pyridin-3-yl)but-2-enoate
CID 11036560
Ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 11189011
7-[2-(6-Fluoro-pyridin-2-yl)-imidazol-1-ylmethyl]-8-propyl-imidazo[1,2-c]pyrimidine-2-carboxylic acid ethyl ester
CID 11361822
US9884868, Example 274C''
CID 122510556
Ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 7141939
Ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate
CID 22031055
Ethyl 3-{[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]amino} imidazo[1,2-a]pyridine-2-carboxylate
CID 117967532
US11673894, Ex. No. 11
CID 139508836
Ethyl 6-bromo-2-methylimidazo[1,2-A]pyridine-3-carboxylate
CID 12872594
Ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 19701375
Ethyl 7-bromoimidazo(1,2-a)pyridine-2-carboxylate
CID 51063904
Methyl 6-bromoimidazo(1,2-a)pyridine-3-carboxylate
CID 76849597

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylate (CID 160899856) is ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2ccc(-c3cc(C)c(=O)n(C)c3)cn12.CCOC(=O)c1cnc2ccc(Br)cn12.
What is the InChIKey of ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is SPIZFTKUIBMMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3.C10H9BrN2O2/c1-4-23-17(22)14-8-18-15-6-5-12(10-20(14)15)13-7-11(2)16(21)19(3)9-13;1-2-15-10(14)8-5-12-9-4-3-7(11)6-13(8)9/h5-10H,4H2,1-3H3;3-6H,2H2,1H3.
What are the key properties of ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 580.44 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 160899856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).