1-hydroxy-8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]octan-2-one;methanol;8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]-1-(oxan-2-yloxy)octan-2-one;oxolane

C72H90N14O9 — CID 159866181

About 1-hydroxy-8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]octan-2-one;methanol;8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]-1-(oxan-2-yloxy)octan-2-one;oxolane

1-hydroxy-8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]octan-2-one;methanol;8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]-1-(oxan-2-yloxy)octan-2-one;oxolane (PubChem CID 159866181) has the molecular formula C72H90N14O9 and a molecular weight of 1295.60 g/mol. Its IUPAC name is 1-hydroxy-8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]octan-2-one;methanol;8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]-1-(oxan-2-yloxy)octan-2-one;oxolane.

Molecular Properties

• Compound Name: 1-hydroxy-8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]octan-2-one;methanol;8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]-1-(oxan-2-yloxy)octan-2-one;oxolane
• PubChem CID: 159866181
• Molecular Formula: C72H90N14O9
• Molecular Weight: 1295.60 g/mol
• Exact Mass: 1294.70
• IUPAC Name: 1-hydroxy-8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]octan-2-one;methanol;8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]-1-(oxan-2-yloxy)octan-2-one;oxolane
• SMILES: C1CCOC1.CO.O=C(CCCCCCn1ncc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)cc21)COC1CCCCO1.O=C(CO)CCCCCCn1ncc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)cc21
• InChI: InChI=1S/C36H43N7O4.C31H35N7O3.C4H8O.CH4O/c44-31(26-47-34-8-4-6-20-46-34)7-3-1-2-5-16-43-33-23-27(9-10-28(33)24-38-43)32-25-42-17-15-37-36(42)35(40-32)39-29-11-13-30(14-12-29)41-18-21-45-22-19-41;39-22-27(40)5-3-1-2-4-13-38-29-19-23(6-7-24(29)20-33-38)28-21-37-14-12-32-31(37)30(35-28)34-25-8-10-26(11-9-25)36-15-17-41-18-16-36;1-2-4-5-3-1;1-2/h9-15,17,23-25,34H,1-8,16,18-22,26H2,(H,39,40);6-12,14,19-21,39H,1-5,13,15-18,22H2,(H,34,35);1-4H2;2H,1H3
• InChIKey: NRTHLBWAMBXTNJ-UHFFFAOYSA-N
• XLogP: 11.63
• TPSA: 247.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 26
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1295.60
LogP ≤ 5	11.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]octan-2-one;methanol;8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]-1-(oxan-2-yloxy)octan-2-one;oxolane?

The IUPAC name of 1-hydroxy-8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]octan-2-one;methanol;8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]-1-(oxan-2-yloxy)octan-2-one;oxolane (CID 159866181) is 1-hydroxy-8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]octan-2-one;methanol;8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]-1-(oxan-2-yloxy)octan-2-one;oxolane.

What is the SMILES notation for 1-hydroxy-8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]octan-2-one;methanol;8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]-1-(oxan-2-yloxy)octan-2-one;oxolane?

The canonical SMILES for 1-hydroxy-8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]octan-2-one;methanol;8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]-1-(oxan-2-yloxy)octan-2-one;oxolane is C1CCOC1.CO.O=C(CCCCCCn1ncc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)cc21)COC1CCCCO1.O=C(CO)CCCCCCn1ncc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)cc21.

What is the InChIKey of 1-hydroxy-8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]octan-2-one;methanol;8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]-1-(oxan-2-yloxy)octan-2-one;oxolane?

The InChIKey is NRTHLBWAMBXTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H43N7O4.C31H35N7O3.C4H8O.CH4O/c44-31(26-47-34-8-4-6-20-46-34)7-3-1-2-5-16-43-33-23-27(9-10-28(33)24-38-43)32-25-42-17-15-37-36(42)35(40-32)39-29-11-13-30(14-12-29)41-18-21-45-22-19-41;39-22-27(40)5-3-1-2-4-13-38-29-19-23(6-7-24(29)20-33-38)28-21-37-14-12-32-31(37)30(35-28)34-25-8-10-26(11-9-25)36-15-17-41-18-16-36;1-2-4-5-3-1;1-2/h9-15,17,23-25,34H,1-8,16,18-22,26H2,(H,39,40);6-12,14,19-21,39H,1-5,13,15-18,22H2,(H,34,35);1-4H2;2H,1H3.

What are the key properties of 1-hydroxy-8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]octan-2-one;methanol;8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]-1-(oxan-2-yloxy)octan-2-one;oxolane?

1-hydroxy-8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]octan-2-one;methanol;8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]-1-(oxan-2-yloxy)octan-2-one;oxolane has a molecular weight of 1295.60 g/mol, XLogP of 11.63, 26 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-hydroxy-8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]octan-2-one;methanol;8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]-1-(oxan-2-yloxy)octan-2-one;oxolane is sourced from PubChem (CID 159866181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).