2-[(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(2-piperazin-1-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

C63H65BBrF2N17O2S2 — CID 165110498

About 2-[(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(2-piperazin-1-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

2-[(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(2-piperazin-1-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (PubChem CID 165110498) has the molecular formula C63H65BBrF2N17O2S2 and a molecular weight of 1285.18 g/mol. Its IUPAC name is 2-[(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(2-piperazin-1-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine.

Molecular Properties

• Compound Name: 2-[(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(2-piperazin-1-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
• PubChem CID: 165110498
• Molecular Formula: C63H65BBrF2N17O2S2
• Molecular Weight: 1285.18 g/mol
• Exact Mass: 1283.42
• IUPAC Name: 2-[(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(2-piperazin-1-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
• SMILES: CC1(C)OB(c2cnc(N3CCCCC3)nc2)OC1(C)C.CCc1nc2ccc(-c3cnc(N4CCNCC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nc2ccc(Br)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/C28H26FN9S.C20H15BrFN5S.C15H24BN3O2/c1-3-22-26(36(2)28-35-25(23(14-30)39-28)18-4-7-21(29)8-5-18)38-17-19(6-9-24(38)34-22)20-15-32-27(33-16-20)37-12-10-31-11-13-37;1-3-15-19(27-11-13(21)6-9-17(27)24-15)26(2)20-25-18(16(10-23)28-20)12-4-7-14(22)8-5-12;1-14(2)15(3,4)21-16(20-14)12-10-17-13(18-11-12)19-8-6-5-7-9-19/h4-9,15-17,31H,3,10-13H2,1-2H3;4-9,11H,3H2,1-2H3;10-11H,5-9H2,1-4H3
• InChIKey: ZWDOSHLPSHKIPM-UHFFFAOYSA-N
• XLogP: 11.99
• TPSA: 202.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1285.18
LogP ≤ 5	11.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(2-piperazin-1-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?

The IUPAC name of 2-[(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(2-piperazin-1-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (CID 165110498) is 2-[(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(2-piperazin-1-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine.

What is the SMILES notation for 2-[(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(2-piperazin-1-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?

The canonical SMILES for 2-[(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(2-piperazin-1-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine is CC1(C)OB(c2cnc(N3CCCCC3)nc2)OC1(C)C.CCc1nc2ccc(-c3cnc(N4CCNCC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nc2ccc(Br)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.

What is the InChIKey of 2-[(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(2-piperazin-1-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?

The InChIKey is ZWDOSHLPSHKIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN9S.C20H15BrFN5S.C15H24BN3O2/c1-3-22-26(36(2)28-35-25(23(14-30)39-28)18-4-7-21(29)8-5-18)38-17-19(6-9-24(38)34-22)20-15-32-27(33-16-20)37-12-10-31-11-13-37;1-3-15-19(27-11-13(21)6-9-17(27)24-15)26(2)20-25-18(16(10-23)28-20)12-4-7-14(22)8-5-12;1-14(2)15(3,4)21-16(20-14)12-10-17-13(18-11-12)19-8-6-5-7-9-19/h4-9,15-17,31H,3,10-13H2,1-2H3;4-9,11H,3H2,1-2H3;10-11H,5-9H2,1-4H3.

What are the key properties of 2-[(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(2-piperazin-1-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?

2-[(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(2-piperazin-1-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine has a molecular weight of 1285.18 g/mol, XLogP of 11.99, 12 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(2-piperazin-1-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine is sourced from PubChem (CID 165110498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).