3-bromoimidazo[1,2-a]pyrazine;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazine;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxylate

C70H56BBrCl2F8N20O10 — CID 167709146

About 3-bromoimidazo[1,2-a]pyrazine;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazine;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxylate

3-bromoimidazo[1,2-a]pyrazine;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazine;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxylate (PubChem CID 167709146) has the molecular formula C70H56BBrCl2F8N20O10 and a molecular weight of 1650.95 g/mol. Its IUPAC name is 3-bromoimidazo[1,2-a]pyrazine;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazine;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: 3-bromoimidazo[1,2-a]pyrazine;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazine;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxylate
• PubChem CID: 167709146
• Molecular Formula: C70H56BBrCl2F8N20O10
• Molecular Weight: 1650.95 g/mol
• Exact Mass: 1648.30
• IUPAC Name: 3-bromoimidazo[1,2-a]pyrazine;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazine;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxylate
• SMILES: Brc1cnc2cnccn12.COC(=O)C1(O)CC1.COC(=O)C1(Oc2ccc(-c3cnc4cnccn34)cn2)CC1.Fc1ccc(-c2cnc3cnccn23)cn1.Nc1cc(C(F)(F)F)c(Cl)cn1.O=C(Nc1cc(C(F)(F)F)c(Cl)cn1)C1(Oc2ccc(-c3cnc4cnccn34)cn2)CC1.OB(O)c1ccc(F)nc1
• InChI: InChI=1S/C21H14ClF3N6O2.C16H14N4O3.C11H7FN4.C6H4BrN3.C6H4ClF3N2.C5H5BFNO2.C5H8O3/c22-14-9-27-16(7-13(14)21(23,24)25)30-19(32)20(3-4-20)33-18-2-1-12(8-29-18)15-10-28-17-11-26-5-6-31(15)17;1-22-15(21)16(4-5-16)23-14-3-2-11(8-19-14)12-9-18-13-10-17-6-7-20(12)13;12-10-2-1-8(5-14-10)9-6-15-11-7-13-3-4-16(9)11;7-5-3-9-6-4-8-1-2-10(5)6;7-4-2-12-5(11)1-3(4)6(8,9)10;7-5-2-1-4(3-8-5)6(9)10;1-8-4(6)5(7)2-3-5/h1-2,5-11H,3-4H2,(H,27,30,32);2-3,6-10H,4-5H2,1H3;1-7H;1-4H;1-2H,(H2,11,12);1-3,9-10H;7H,2-3H2,1H3
• InChIKey: ZOCSBLCERSJHQQ-UHFFFAOYSA-N
• XLogP: 10.63
• TPSA: 384.97 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1650.95
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromoimidazo[1,2-a]pyrazine;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazine;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxylate?

The IUPAC name of 3-bromoimidazo[1,2-a]pyrazine;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazine;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxylate (CID 167709146) is 3-bromoimidazo[1,2-a]pyrazine;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazine;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxylate.

What is the SMILES notation for 3-bromoimidazo[1,2-a]pyrazine;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazine;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxylate?

The canonical SMILES for 3-bromoimidazo[1,2-a]pyrazine;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazine;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxylate is Brc1cnc2cnccn12.COC(=O)C1(O)CC1.COC(=O)C1(Oc2ccc(-c3cnc4cnccn34)cn2)CC1.Fc1ccc(-c2cnc3cnccn23)cn1.Nc1cc(C(F)(F)F)c(Cl)cn1.O=C(Nc1cc(C(F)(F)F)c(Cl)cn1)C1(Oc2ccc(-c3cnc4cnccn34)cn2)CC1.OB(O)c1ccc(F)nc1.

What is the InChIKey of 3-bromoimidazo[1,2-a]pyrazine;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazine;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxylate?

The InChIKey is ZOCSBLCERSJHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N6O2.C16H14N4O3.C11H7FN4.C6H4BrN3.C6H4ClF3N2.C5H5BFNO2.C5H8O3/c22-14-9-27-16(7-13(14)21(23,24)25)30-19(32)20(3-4-20)33-18-2-1-12(8-29-18)15-10-28-17-11-26-5-6-31(15)17;1-22-15(21)16(4-5-16)23-14-3-2-11(8-19-14)12-9-18-13-10-17-6-7-20(12)13;12-10-2-1-8(5-14-10)9-6-15-11-7-13-3-4-16(9)11;7-5-3-9-6-4-8-1-2-10(5)6;7-4-2-12-5(11)1-3(4)6(8,9)10;7-5-2-1-4(3-8-5)6(9)10;1-8-4(6)5(7)2-3-5/h1-2,5-11H,3-4H2,(H,27,30,32);2-3,6-10H,4-5H2,1H3;1-7H;1-4H;1-2H,(H2,11,12);1-3,9-10H;7H,2-3H2,1H3.

What are the key properties of 3-bromoimidazo[1,2-a]pyrazine;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazine;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxylate?

3-bromoimidazo[1,2-a]pyrazine;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazine;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxylate has a molecular weight of 1650.95 g/mol, XLogP of 10.63, 12 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromoimidazo[1,2-a]pyrazine;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazine;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxylate is sourced from PubChem (CID 167709146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).