7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one

C109H105F3N22O10 — CID 159515971

About 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one

7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one (PubChem CID 159515971) has the molecular formula C109H105F3N22O10 and a molecular weight of 1940.18 g/mol. Its IUPAC name is 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one.

Molecular Properties

• Compound Name: 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one
• PubChem CID: 159515971
• Molecular Formula: C109H105F3N22O10
• Molecular Weight: 1940.18 g/mol
• Exact Mass: 1938.83
• IUPAC Name: 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one
• SMILES: C[C@@H]1CN(c2ccc3cc(-c4cn5ccc(C(F)(F)F)cc5n4)c(=O)oc3c2)C[C@H](C)N1C.C[C@@H]1CN(c2ccc3cc(-c4cn5cccnc5n4)c(=O)oc3c2)CCN1.C[C@H]1CN(c2ccc3cc(-c4cn5cccnc5n4)c(=O)oc3c2)CCN1.Cc1ccc2nc(-c3cc4ccc(N5C[C@@H](C)N[C@@H](C)C5)cc4oc3=O)cn2c1.Cc1ccc2nc(-c3cc4ccc(N5C[C@@H]6C[C@H]5CN6)cc4oc3=O)cn2c1
• InChI: InChI=1S/C24H23F3N4O2.C23H24N4O2.C22H20N4O2.2C20H19N5O2/c1-14-11-31(12-15(2)29(14)3)18-5-4-16-8-19(23(32)33-21(16)10-18)20-13-30-7-6-17(24(25,26)27)9-22(30)28-20;1-14-4-7-22-25-20(13-27(22)10-14)19-8-17-5-6-18(9-21(17)29-23(19)28)26-11-15(2)24-16(3)12-26;1-13-2-5-21-24-19(12-25(21)10-13)18-6-14-3-4-16(8-20(14)28-22(18)27)26-11-15-7-17(26)9-23-15;2*1-13-11-24(8-6-21-13)15-4-3-14-9-16(19(26)27-18(14)10-15)17-12-25-7-2-5-22-20(25)23-17/h4-10,13-15H,11-12H2,1-3H3;4-10,13,15-16,24H,11-12H2,1-3H3;2-6,8,10,12,15,17,23H,7,9,11H2,1H3;2*2-5,7,9-10,12-13,21H,6,8,11H2,1H3/t14-,15+;15-,16+;15-,17-;2*13-/m..010/s1
• InChIKey: MBEWOGIXXSUXOZ-HYOKVQHJSA-N
• XLogP: 15.83
• TPSA: 330.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 10
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1940.18
LogP ≤ 5	15.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one?

The IUPAC name of 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one (CID 159515971) is 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one.

What is the SMILES notation for 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one?

The canonical SMILES for 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one is C[C@@H]1CN(c2ccc3cc(-c4cn5ccc(C(F)(F)F)cc5n4)c(=O)oc3c2)C[C@H](C)N1C.C[C@@H]1CN(c2ccc3cc(-c4cn5cccnc5n4)c(=O)oc3c2)CCN1.C[C@H]1CN(c2ccc3cc(-c4cn5cccnc5n4)c(=O)oc3c2)CCN1.Cc1ccc2nc(-c3cc4ccc(N5C[C@@H](C)N[C@@H](C)C5)cc4oc3=O)cn2c1.Cc1ccc2nc(-c3cc4ccc(N5C[C@@H]6C[C@H]5CN6)cc4oc3=O)cn2c1.

What is the InChIKey of 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one?

The InChIKey is MBEWOGIXXSUXOZ-HYOKVQHJSA-N. The full InChI is InChI=1S/C24H23F3N4O2.C23H24N4O2.C22H20N4O2.2C20H19N5O2/c1-14-11-31(12-15(2)29(14)3)18-5-4-16-8-19(23(32)33-21(16)10-18)20-13-30-7-6-17(24(25,26)27)9-22(30)28-20;1-14-4-7-22-25-20(13-27(22)10-14)19-8-17-5-6-18(9-21(17)29-23(19)28)26-11-15(2)24-16(3)12-26;1-13-2-5-21-24-19(12-25(21)10-13)18-6-14-3-4-16(8-20(14)28-22(18)27)26-11-15-7-17(26)9-23-15;2*1-13-11-24(8-6-21-13)15-4-3-14-9-16(19(26)27-18(14)10-15)17-12-25-7-2-5-22-20(25)23-17/h4-10,13-15H,11-12H2,1-3H3;4-10,13,15-16,24H,11-12H2,1-3H3;2-6,8,10,12,15,17,23H,7,9,11H2,1H3;2*2-5,7,9-10,12-13,21H,6,8,11H2,1H3/t14-,15+;15-,16+;15-,17-;2*13-/m..010/s1.

What are the key properties of 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one?

7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one has a molecular weight of 1940.18 g/mol, XLogP of 15.83, 10 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one is sourced from PubChem (CID 159515971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).