7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione;methane;methanol;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(oxan-2-yloxy)-6-oxohexanamide;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoic acid;O-(oxan-2-yl)hydroxylamine;2,2,2-trifluoroacetaldehyde

C96H127F3N20O17 — CID 163525439

About 7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione;methane;methanol;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(oxan-2-yloxy)-6-oxohexanamide;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoic acid;O-(oxan-2-yl)hydroxylamine;2,2,2-trifluoroacetaldehyde

7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione;methane;methanol;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(oxan-2-yloxy)-6-oxohexanamide;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoic acid;O-(oxan-2-yl)hydroxylamine;2,2,2-trifluoroacetaldehyde (PubChem CID 163525439) has the molecular formula C96H127F3N20O17 and a molecular weight of 1890.19 g/mol. Its IUPAC name is 7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione;methane;methanol;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(oxan-2-yloxy)-6-oxohexanamide;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoic acid;O-(oxan-2-yl)hydroxylamine;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione;methane;methanol;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(oxan-2-yloxy)-6-oxohexanamide;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoic acid;O-(oxan-2-yl)hydroxylamine;2,2,2-trifluoroacetaldehyde
• PubChem CID: 163525439
• Molecular Formula: C96H127F3N20O17
• Molecular Weight: 1890.19 g/mol
• Exact Mass: 1888.96
• IUPAC Name: 7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione;methane;methanol;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(oxan-2-yloxy)-6-oxohexanamide;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoic acid;O-(oxan-2-yl)hydroxylamine;2,2,2-trifluoroacetaldehyde
• SMILES: C.CO.NOC1CCCCO1.O=C(CCCCC(=O)N1CCC=C(c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)C1)NOC1CCCCO1.O=C(CO)CCCCC(=O)N1CCC=C(c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)C1.O=C(O)CCCCC(=O)N1CCC=C(c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)C1.O=CC(F)(F)F
• InChI: InChI=1S/C32H41N7O5.C28H34N6O4.C27H32N6O4.C5H11NO2.C2HF3O.CH4O.CH4/c40-28(36-44-30-9-3-4-19-43-30)7-1-2-8-29(41)38-15-5-6-24(22-38)27-23-39-16-14-33-32(39)31(35-27)34-25-10-12-26(13-11-25)37-17-20-42-21-18-37;35-20-24(36)5-1-2-6-26(37)33-12-3-4-21(18-33)25-19-34-13-11-29-28(34)27(31-25)30-22-7-9-23(10-8-22)32-14-16-38-17-15-32;34-24(5-1-2-6-25(35)36)32-12-3-4-20(18-32)23-19-33-13-11-28-27(33)26(30-23)29-21-7-9-22(10-8-21)31-14-16-37-17-15-31;6-8-5-3-1-2-4-7-5;3-2(4,5)1-6;1-2;/h6,10-14,16,23,30H,1-5,7-9,15,17-22H2,(H,34,35)(H,36,40);4,7-11,13,19,35H,1-3,5-6,12,14-18,20H2,(H,30,31);4,7-11,13,19H,1-3,5-6,12,14-18H2,(H,29,30)(H,35,36);5H,1-4,6H2;1H;2H,1H3;1H4
• InChIKey: DOIQHPUDYVMFQQ-UHFFFAOYSA-N
• XLogP: 12.07
• TPSA: 428.94 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1890.19
LogP ≤ 5	12.07
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione;methane;methanol;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(oxan-2-yloxy)-6-oxohexanamide;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoic acid;O-(oxan-2-yl)hydroxylamine;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione;methane;methanol;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(oxan-2-yloxy)-6-oxohexanamide;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoic acid;O-(oxan-2-yl)hydroxylamine;2,2,2-trifluoroacetaldehyde (CID 163525439) is 7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione;methane;methanol;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(oxan-2-yloxy)-6-oxohexanamide;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoic acid;O-(oxan-2-yl)hydroxylamine;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione;methane;methanol;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(oxan-2-yloxy)-6-oxohexanamide;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoic acid;O-(oxan-2-yl)hydroxylamine;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione;methane;methanol;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(oxan-2-yloxy)-6-oxohexanamide;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoic acid;O-(oxan-2-yl)hydroxylamine;2,2,2-trifluoroacetaldehyde is C.CO.NOC1CCCCO1.O=C(CCCCC(=O)N1CCC=C(c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)C1)NOC1CCCCO1.O=C(CO)CCCCC(=O)N1CCC=C(c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)C1.O=C(O)CCCCC(=O)N1CCC=C(c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)C1.O=CC(F)(F)F.

What is the InChIKey of 7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione;methane;methanol;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(oxan-2-yloxy)-6-oxohexanamide;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoic acid;O-(oxan-2-yl)hydroxylamine;2,2,2-trifluoroacetaldehyde?

The InChIKey is DOIQHPUDYVMFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N7O5.C28H34N6O4.C27H32N6O4.C5H11NO2.C2HF3O.CH4O.CH4/c40-28(36-44-30-9-3-4-19-43-30)7-1-2-8-29(41)38-15-5-6-24(22-38)27-23-39-16-14-33-32(39)31(35-27)34-25-10-12-26(13-11-25)37-17-20-42-21-18-37;35-20-24(36)5-1-2-6-26(37)33-12-3-4-21(18-33)25-19-34-13-11-29-28(34)27(31-25)30-22-7-9-23(10-8-22)32-14-16-38-17-15-32;34-24(5-1-2-6-25(35)36)32-12-3-4-20(18-32)23-19-33-13-11-28-27(33)26(30-23)29-21-7-9-22(10-8-21)31-14-16-37-17-15-31;6-8-5-3-1-2-4-7-5;3-2(4,5)1-6;1-2;/h6,10-14,16,23,30H,1-5,7-9,15,17-22H2,(H,34,35)(H,36,40);4,7-11,13,19,35H,1-3,5-6,12,14-18,20H2,(H,30,31);4,7-11,13,19H,1-3,5-6,12,14-18H2,(H,29,30)(H,35,36);5H,1-4,6H2;1H;2H,1H3;1H4.

What are the key properties of 7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione;methane;methanol;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(oxan-2-yloxy)-6-oxohexanamide;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoic acid;O-(oxan-2-yl)hydroxylamine;2,2,2-trifluoroacetaldehyde?

7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione;methane;methanol;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(oxan-2-yloxy)-6-oxohexanamide;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoic acid;O-(oxan-2-yl)hydroxylamine;2,2,2-trifluoroacetaldehyde has a molecular weight of 1890.19 g/mol, XLogP of 12.07, 31 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione;methane;methanol;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(oxan-2-yloxy)-6-oxohexanamide;6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoic acid;O-(oxan-2-yl)hydroxylamine;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 163525439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).