3-bromo-6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-a]pyridine;tris(1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone);6-tert-butyl-N-methylimidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-a]pyridine-3-carboxylate

C102H129BrN18O7 — CID 157424250

About 3-bromo-6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-a]pyridine;tris(1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone);6-tert-butyl-N-methylimidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-a]pyridine-3-carboxylate

3-bromo-6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-a]pyridine;tris(1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone);6-tert-butyl-N-methylimidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 157424250) has the molecular formula C102H129BrN18O7 and a molecular weight of 1799.18 g/mol. Its IUPAC name is 3-bromo-6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-a]pyridine;tris(1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone);6-tert-butyl-N-methylimidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 3-bromo-6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-a]pyridine;tris(1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone);6-tert-butyl-N-methylimidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-a]pyridine-3-carboxylate
• PubChem CID: 157424250
• Molecular Formula: C102H129BrN18O7
• Molecular Weight: 1799.18 g/mol
• Exact Mass: 1796.95
• IUPAC Name: 3-bromo-6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-a]pyridine;tris(1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone);6-tert-butyl-N-methylimidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-a]pyridine-3-carboxylate
• SMILES: CC(=O)c1cnc2ccc(C(C)(C)C)cn12.CC(=O)c1cnc2ccc(C(C)(C)C)cn12.CC(=O)c1cnc2ccc(C(C)(C)C)cn12.CC(C)(C)c1ccc2ncc(Br)n2c1.CC(C)(C)c1ccc2nccn2c1.CCOC(=O)c1cnc2ccc(C(C)(C)C)cn12.CN(C)C(=O)c1cnc2ccc(C(C)(C)C)cn12.CNC(=O)c1cnc2ccc(C(C)(C)C)cn12
• InChI: InChI=1S/C14H19N3O.C14H18N2O2.C13H17N3O.3C13H16N2O.C11H13BrN2.C11H14N2/c1-14(2,3)10-6-7-12-15-8-11(17(12)9-10)13(18)16(4)5;1-5-18-13(17)11-8-15-12-7-6-10(9-16(11)12)14(2,3)4;1-13(2,3)9-5-6-11-15-7-10(12(17)14-4)16(11)8-9;3*1-9(16)11-7-14-12-6-5-10(8-15(11)12)13(2,3)4;1-11(2,3)8-4-5-10-13-6-9(12)14(10)7-8;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9/h6-9H,1-5H3;6-9H,5H2,1-4H3;5-8H,1-4H3,(H,14,17);3*5-8H,1-4H3;4-7H,1-3H3;4-8H,1-3H3
• InChIKey: BPTTUGWJWMDZHN-UHFFFAOYSA-N
• XLogP: 21.66
• TPSA: 265.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 7
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1799.18
LogP ≤ 5	21.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-a]pyridine;tris(1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone);6-tert-butyl-N-methylimidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-a]pyridine-3-carboxylate?

The IUPAC name of 3-bromo-6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-a]pyridine;tris(1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone);6-tert-butyl-N-methylimidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-a]pyridine-3-carboxylate (CID 157424250) is 3-bromo-6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-a]pyridine;tris(1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone);6-tert-butyl-N-methylimidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-a]pyridine-3-carboxylate.

What is the SMILES notation for 3-bromo-6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-a]pyridine;tris(1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone);6-tert-butyl-N-methylimidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-a]pyridine-3-carboxylate?

The canonical SMILES for 3-bromo-6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-a]pyridine;tris(1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone);6-tert-butyl-N-methylimidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-a]pyridine-3-carboxylate is CC(=O)c1cnc2ccc(C(C)(C)C)cn12.CC(=O)c1cnc2ccc(C(C)(C)C)cn12.CC(=O)c1cnc2ccc(C(C)(C)C)cn12.CC(C)(C)c1ccc2ncc(Br)n2c1.CC(C)(C)c1ccc2nccn2c1.CCOC(=O)c1cnc2ccc(C(C)(C)C)cn12.CN(C)C(=O)c1cnc2ccc(C(C)(C)C)cn12.CNC(=O)c1cnc2ccc(C(C)(C)C)cn12.

What is the InChIKey of 3-bromo-6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-a]pyridine;tris(1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone);6-tert-butyl-N-methylimidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-a]pyridine-3-carboxylate?

The InChIKey is BPTTUGWJWMDZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O.C14H18N2O2.C13H17N3O.3C13H16N2O.C11H13BrN2.C11H14N2/c1-14(2,3)10-6-7-12-15-8-11(17(12)9-10)13(18)16(4)5;1-5-18-13(17)11-8-15-12-7-6-10(9-16(11)12)14(2,3)4;1-13(2,3)9-5-6-11-15-7-10(12(17)14-4)16(11)8-9;3*1-9(16)11-7-14-12-6-5-10(8-15(11)12)13(2,3)4;1-11(2,3)8-4-5-10-13-6-9(12)14(10)7-8;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9/h6-9H,1-5H3;6-9H,5H2,1-4H3;5-8H,1-4H3,(H,14,17);3*5-8H,1-4H3;4-7H,1-3H3;4-8H,1-3H3.

What are the key properties of 3-bromo-6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-a]pyridine;tris(1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone);6-tert-butyl-N-methylimidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-a]pyridine-3-carboxylate?

3-bromo-6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-a]pyridine;tris(1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone);6-tert-butyl-N-methylimidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 1799.18 g/mol, XLogP of 21.66, 7 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-a]pyridine;tris(1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone);6-tert-butyl-N-methylimidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 157424250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).