7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]oxy-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[3-(methylamino)propyl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one

C97H106FN15O11 — CID 158642851

About 7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]oxy-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[3-(methylamino)propyl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one

7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]oxy-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[3-(methylamino)propyl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one (PubChem CID 158642851) has the molecular formula C97H106FN15O11 and a molecular weight of 1677.01 g/mol. Its IUPAC name is 7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]oxy-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[3-(methylamino)propyl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one.

Molecular Properties

• Compound Name: 7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]oxy-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[3-(methylamino)propyl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one
• PubChem CID: 158642851
• Molecular Formula: C97H106FN15O11
• Molecular Weight: 1677.01 g/mol
• Exact Mass: 1675.82
• IUPAC Name: 7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]oxy-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[3-(methylamino)propyl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one
• SMILES: CNCCCc1ccc2cc(-c3cc(F)c4nc(C)cn4c3)c(=O)oc2c1.Cc1cn2cc(-c3cc4ccc(C5CCN(CC(C)C)CC5)cc4oc3=O)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(C5CCN(CC(C)C)CC5)cc4oc3=O)nc2cn1.Cc1cn2cc(-c3cc4ccc(OC5CCN(C(CO)CO)CC5)cc4oc3=O)nc2c(C)n1
• InChI: InChI=1S/C26H30N4O2.C25H28N4O5.C25H28N4O2.C21H20FN3O2/c1-16(2)13-29-9-7-19(8-10-29)20-5-6-21-11-22(26(31)32-24(21)12-20)23-15-30-14-17(3)27-18(4)25(30)28-23;1-15-11-29-12-22(27-24(29)16(2)26-15)21-9-17-3-4-20(10-23(17)34-25(21)32)33-19-5-7-28(8-6-19)18(13-30)14-31;1-16(2)13-28-8-6-18(7-9-28)19-4-5-20-10-21(25(30)31-23(20)11-19)22-15-29-14-17(3)26-12-24(29)27-22;1-13-11-25-12-16(10-18(22)20(25)24-13)17-9-15-6-5-14(4-3-7-23-2)8-19(15)27-21(17)26/h5-6,11-12,14-16,19H,7-10,13H2,1-4H3;3-4,9-12,18-19,30-31H,5-8,13-14H2,1-2H3;4-5,10-12,14-16,18H,6-9,13H2,1-3H3;5-6,8-12,23H,3-4,7H2,1-2H3
• InChIKey: IAPJPUWBBFXFDM-UHFFFAOYSA-N
• XLogP: 15.62
• TPSA: 300.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1677.01
LogP ≤ 5	15.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]oxy-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[3-(methylamino)propyl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one?

The IUPAC name of 7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]oxy-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[3-(methylamino)propyl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one (CID 158642851) is 7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]oxy-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[3-(methylamino)propyl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one.

What is the SMILES notation for 7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]oxy-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[3-(methylamino)propyl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one?

The canonical SMILES for 7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]oxy-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[3-(methylamino)propyl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one is CNCCCc1ccc2cc(-c3cc(F)c4nc(C)cn4c3)c(=O)oc2c1.Cc1cn2cc(-c3cc4ccc(C5CCN(CC(C)C)CC5)cc4oc3=O)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(C5CCN(CC(C)C)CC5)cc4oc3=O)nc2cn1.Cc1cn2cc(-c3cc4ccc(OC5CCN(C(CO)CO)CC5)cc4oc3=O)nc2c(C)n1.

What is the InChIKey of 7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]oxy-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[3-(methylamino)propyl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one?

The InChIKey is IAPJPUWBBFXFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2.C25H28N4O5.C25H28N4O2.C21H20FN3O2/c1-16(2)13-29-9-7-19(8-10-29)20-5-6-21-11-22(26(31)32-24(21)12-20)23-15-30-14-17(3)27-18(4)25(30)28-23;1-15-11-29-12-22(27-24(29)16(2)26-15)21-9-17-3-4-20(10-23(17)34-25(21)32)33-19-5-7-28(8-6-19)18(13-30)14-31;1-16(2)13-28-8-6-18(7-9-28)19-4-5-20-10-21(25(30)31-23(20)11-19)22-15-29-14-17(3)26-12-24(29)27-22;1-13-11-25-12-16(10-18(22)20(25)24-13)17-9-15-6-5-14(4-3-7-23-2)8-19(15)27-21(17)26/h5-6,11-12,14-16,19H,7-10,13H2,1-4H3;3-4,9-12,18-19,30-31H,5-8,13-14H2,1-2H3;4-5,10-12,14-16,18H,6-9,13H2,1-3H3;5-6,8-12,23H,3-4,7H2,1-2H3.

What are the key properties of 7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]oxy-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[3-(methylamino)propyl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one?

7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]oxy-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[3-(methylamino)propyl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one has a molecular weight of 1677.01 g/mol, XLogP of 15.62, 19 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]oxy-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[3-(methylamino)propyl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-methylpropyl)piperidin-4-yl]chromen-2-one is sourced from PubChem (CID 158642851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).