[8-amino-5-[2-[[2-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzimidazol-5-yl]-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone

C₅₆H₄₅F₄N₁₅O₃ — CID 154959179

About [8-amino-5-[2-[[2-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzimidazol-5-yl]-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone

[8-amino-5-[2-[[2-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzimidazol-5-yl]-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 154959179) has the molecular formula C₅₆H₄₅F₄N₁₅O₃ and a molecular weight of 1052.07 g/mol. Its IUPAC name is [8-amino-5-[2-[[2-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzimidazol-5-yl]-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [8-amino-5-[2-[[2-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzimidazol-5-yl]-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone
• PubChem CID: 154959179
• Molecular Formula: C₅₆H₄₅F₄N₁₅O₃
• Molecular Weight: 1052.07 g/mol
• Exact Mass: 1051.38
• IUPAC Name: [8-amino-5-[2-[[2-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzimidazol-5-yl]-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone
• SMILES: Cn1cnc2ccc(-c3c(-c4cccc(F)c4)nc(Nc4nc5ccc(-c6c(-c7cccc(F)c7)nc(N)c7nc(C(=O)N8CCOCC8)cn67)cc5n4C)c4nc(C(=O)N5CCN(c6ccc(F)cc6F)CC5)cn34)cc21
• InChI: InChI=1S/C56H45F4N15O3/c1-69-30-62-39-12-9-33(25-44(39)69)49-47(32-6-4-8-36(58)24-32)67-51(53-64-42(29-75(49)53)54(76)72-17-15-71(16-18-72)43-14-11-37(59)27-38(43)60)68-56-65-40-13-10-34(26-45(40)70(56)2)48-46(31-5-3-7-35(57)23-31)66-50(61)52-63-41(28-74(48)52)55(77)73-19-21-78-22-20-73/h3-14,23-30H,15-22H2,1-2H3,(H2,61,66)(H,65,67,68)
• InChIKey: UKLBZUFJDNIEQK-UHFFFAOYSA-N
• XLogP: 8.53
• TPSA: 187.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1052.07
LogP ≤ 5	8.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of [8-amino-5-[2-[[2-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzimidazol-5-yl]-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone?

The IUPAC name of [8-amino-5-[2-[[2-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzimidazol-5-yl]-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone (CID 154959179) is [8-amino-5-[2-[[2-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzimidazol-5-yl]-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone.

What is the SMILES notation for [8-amino-5-[2-[[2-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzimidazol-5-yl]-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone?

The canonical SMILES for [8-amino-5-[2-[[2-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzimidazol-5-yl]-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone is Cn1cnc2ccc(-c3c(-c4cccc(F)c4)nc(Nc4nc5ccc(-c6c(-c7cccc(F)c7)nc(N)c7nc(C(=O)N8CCOCC8)cn67)cc5n4C)c4nc(C(=O)N5CCN(c6ccc(F)cc6F)CC5)cn34)cc21.

What is the InChIKey of [8-amino-5-[2-[[2-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzimidazol-5-yl]-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone?

The InChIKey is UKLBZUFJDNIEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45F4N15O3/c1-69-30-62-39-12-9-33(25-44(39)69)49-47(32-6-4-8-36(58)24-32)67-51(53-64-42(29-75(49)53)54(76)72-17-15-71(16-18-72)43-14-11-37(59)27-38(43)60)68-56-65-40-13-10-34(26-45(40)70(56)2)48-46(31-5-3-7-35(57)23-31)66-50(61)52-63-41(28-74(48)52)55(77)73-19-21-78-22-20-73/h3-14,23-30H,15-22H2,1-2H3,(H2,61,66)(H,65,67,68).

What are the key properties of [8-amino-5-[2-[[2-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzimidazol-5-yl]-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone?

[8-amino-5-[2-[[2-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzimidazol-5-yl]-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 1052.07 g/mol, XLogP of 8.53, 9 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [8-amino-5-[2-[[2-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzimidazol-5-yl]-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 154959179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154959179 — identifiers, structure, computed properties (public domain)

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