2-bromoimidazo[1,2-a]pyridine;tert-butyl N-[[2-fluoro-3-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;2-(2-ethyl-3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)methanamine

C57H63BBrF3N8O7 — CID 159065030

About 2-bromoimidazo[1,2-a]pyridine;tert-butyl N-[[2-fluoro-3-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;2-(2-ethyl-3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)methanamine

2-bromoimidazo[1,2-a]pyridine;tert-butyl N-[[2-fluoro-3-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;2-(2-ethyl-3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)methanamine (PubChem CID 159065030) has the molecular formula C57H63BBrF3N8O7 and a molecular weight of 1119.89 g/mol. Its IUPAC name is 2-bromoimidazo[1,2-a]pyridine;tert-butyl N-[[2-fluoro-3-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;2-(2-ethyl-3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)methanamine.

Molecular Properties

• Compound Name: 2-bromoimidazo[1,2-a]pyridine;tert-butyl N-[[2-fluoro-3-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;2-(2-ethyl-3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)methanamine
• PubChem CID: 159065030
• Molecular Formula: C57H63BBrF3N8O7
• Molecular Weight: 1119.89 g/mol
• Exact Mass: 1118.40
• IUPAC Name: 2-bromoimidazo[1,2-a]pyridine;tert-butyl N-[[2-fluoro-3-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;2-(2-ethyl-3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)methanamine
• SMILES: Brc1cn2ccccc2n1.CCc1c(-c2cn3ccccc3n2)ccc(OC)c1F.COc1ccc(-c2cn3ccccc3n2)c(CN)c1F.COc1ccc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)OC(C)(C)C)c1F
• InChI: InChI=1S/C19H29BFNO5.C16H15FN2O.C15H14FN3O.C7H5BrN2/c1-17(2,3)25-16(23)22-11-12-13(9-10-14(24-8)15(12)21)20-26-18(4,5)19(6,7)27-20;1-3-11-12(7-8-14(20-2)16(11)17)13-10-19-9-5-4-6-15(19)18-13;1-20-13-6-5-10(11(8-17)15(13)16)12-9-19-7-3-2-4-14(19)18-12;8-6-5-10-4-2-1-3-7(10)9-6/h9-10H,11H2,1-8H3,(H,22,23);4-10H,3H2,1-2H3;2-7,9H,8,17H2,1H3;1-5H
• InChIKey: JYYGXUYWSGTVBU-UHFFFAOYSA-N
• XLogP: 11.57
• TPSA: 162.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1119.89
LogP ≤ 5	11.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromoimidazo[1,2-a]pyridine;tert-butyl N-[[2-fluoro-3-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;2-(2-ethyl-3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)methanamine?

The IUPAC name of 2-bromoimidazo[1,2-a]pyridine;tert-butyl N-[[2-fluoro-3-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;2-(2-ethyl-3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)methanamine (CID 159065030) is 2-bromoimidazo[1,2-a]pyridine;tert-butyl N-[[2-fluoro-3-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;2-(2-ethyl-3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)methanamine.

What is the SMILES notation for 2-bromoimidazo[1,2-a]pyridine;tert-butyl N-[[2-fluoro-3-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;2-(2-ethyl-3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)methanamine?

The canonical SMILES for 2-bromoimidazo[1,2-a]pyridine;tert-butyl N-[[2-fluoro-3-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;2-(2-ethyl-3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)methanamine is Brc1cn2ccccc2n1.CCc1c(-c2cn3ccccc3n2)ccc(OC)c1F.COc1ccc(-c2cn3ccccc3n2)c(CN)c1F.COc1ccc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)OC(C)(C)C)c1F.

What is the InChIKey of 2-bromoimidazo[1,2-a]pyridine;tert-butyl N-[[2-fluoro-3-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;2-(2-ethyl-3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)methanamine?

The InChIKey is JYYGXUYWSGTVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BFNO5.C16H15FN2O.C15H14FN3O.C7H5BrN2/c1-17(2,3)25-16(23)22-11-12-13(9-10-14(24-8)15(12)21)20-26-18(4,5)19(6,7)27-20;1-3-11-12(7-8-14(20-2)16(11)17)13-10-19-9-5-4-6-15(19)18-13;1-20-13-6-5-10(11(8-17)15(13)16)12-9-19-7-3-2-4-14(19)18-12;8-6-5-10-4-2-1-3-7(10)9-6/h9-10H,11H2,1-8H3,(H,22,23);4-10H,3H2,1-2H3;2-7,9H,8,17H2,1H3;1-5H.

What are the key properties of 2-bromoimidazo[1,2-a]pyridine;tert-butyl N-[[2-fluoro-3-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;2-(2-ethyl-3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)methanamine?

2-bromoimidazo[1,2-a]pyridine;tert-butyl N-[[2-fluoro-3-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;2-(2-ethyl-3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)methanamine has a molecular weight of 1119.89 g/mol, XLogP of 11.57, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromoimidazo[1,2-a]pyridine;tert-butyl N-[[2-fluoro-3-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;2-(2-ethyl-3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)methanamine is sourced from PubChem (CID 159065030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).