bis(3-(1-benzofuran-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one);7-(1,4-diazepan-1-yl)-3-[6-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one

C115H116F3N19O12 — CID 160687384

About bis(3-(1-benzofuran-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one);7-(1,4-diazepan-1-yl)-3-[6-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one

bis(3-(1-benzofuran-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one);7-(1,4-diazepan-1-yl)-3-[6-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one (PubChem CID 160687384) has the molecular formula C115H116F3N19O12 and a molecular weight of 2013.31 g/mol. Its IUPAC name is bis(3-(1-benzofuran-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one);7-(1,4-diazepan-1-yl)-3-[6-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one.

Molecular Properties

• Compound Name: bis(3-(1-benzofuran-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one);7-(1,4-diazepan-1-yl)-3-[6-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one
• PubChem CID: 160687384
• Molecular Formula: C115H116F3N19O12
• Molecular Weight: 2013.31 g/mol
• Exact Mass: 2011.90
• IUPAC Name: bis(3-(1-benzofuran-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one);7-(1,4-diazepan-1-yl)-3-[6-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one
• SMILES: C[C@@H]1CN(c2ccc3cc(-c4cc5ccccc5o4)c(=O)oc3c2)C[C@H](C)N1.C[C@@H]1CN(c2ccc3cc(-c4cc5ccccc5o4)c(=O)oc3c2)C[C@H](C)N1.Cc1cn2cc(-c3cc4ccc(N5CCCNCC5)cc4oc3=O)nc2c(C(F)(F)F)n1.Cc1cn2cc(-c3cc4ccc(N5CCN(C)[C@H](C)C5)cc4oc3=O)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5C[C@@H](C)N(C)[C@@H](C)C5)cc4oc3=O)nc2c(C)n1
• InChI: InChI=1S/C24H27N5O2.C23H25N5O2.2C23H22N2O3.C22H20F3N5O2/c1-14-10-29-13-21(26-23(29)17(4)25-14)20-8-18-6-7-19(9-22(18)31-24(20)30)28-11-15(2)27(5)16(3)12-28;1-14-11-28-13-20(25-22(28)16(3)24-14)19-9-17-5-6-18(10-21(17)30-23(19)29)27-8-7-26(4)15(2)12-27;2*1-14-12-25(13-15(2)24-14)18-8-7-17-9-19(23(26)28-21(17)11-18)22-10-16-5-3-4-6-20(16)27-22;1-13-11-30-12-17(28-20(30)19(27-13)22(23,24)25)16-9-14-3-4-15(10-18(14)32-21(16)31)29-7-2-5-26-6-8-29/h6-10,13,15-16H,11-12H2,1-5H3;5-6,9-11,13,15H,7-8,12H2,1-4H3;2*3-11,14-15,24H,12-13H2,1-2H3;3-4,9-12,26H,2,5-8H2,1H3/t15-,16+;15-;2*14-,15+;/m.1.../s1
• InChIKey: ROYDWPNFXNWKHP-WSMMWDPGSA-N
• XLogP: 19.32
• TPSA: 326.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 10
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2013.31
LogP ≤ 5	19.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(3-(1-benzofuran-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one);7-(1,4-diazepan-1-yl)-3-[6-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one?

The IUPAC name of bis(3-(1-benzofuran-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one);7-(1,4-diazepan-1-yl)-3-[6-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one (CID 160687384) is bis(3-(1-benzofuran-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one);7-(1,4-diazepan-1-yl)-3-[6-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one.

What is the SMILES notation for bis(3-(1-benzofuran-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one);7-(1,4-diazepan-1-yl)-3-[6-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one?

The canonical SMILES for bis(3-(1-benzofuran-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one);7-(1,4-diazepan-1-yl)-3-[6-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one is C[C@@H]1CN(c2ccc3cc(-c4cc5ccccc5o4)c(=O)oc3c2)C[C@H](C)N1.C[C@@H]1CN(c2ccc3cc(-c4cc5ccccc5o4)c(=O)oc3c2)C[C@H](C)N1.Cc1cn2cc(-c3cc4ccc(N5CCCNCC5)cc4oc3=O)nc2c(C(F)(F)F)n1.Cc1cn2cc(-c3cc4ccc(N5CCN(C)[C@H](C)C5)cc4oc3=O)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5C[C@@H](C)N(C)[C@@H](C)C5)cc4oc3=O)nc2c(C)n1.

What is the InChIKey of bis(3-(1-benzofuran-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one);7-(1,4-diazepan-1-yl)-3-[6-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one?

The InChIKey is ROYDWPNFXNWKHP-WSMMWDPGSA-N. The full InChI is InChI=1S/C24H27N5O2.C23H25N5O2.2C23H22N2O3.C22H20F3N5O2/c1-14-10-29-13-21(26-23(29)17(4)25-14)20-8-18-6-7-19(9-22(18)31-24(20)30)28-11-15(2)27(5)16(3)12-28;1-14-11-28-13-20(25-22(28)16(3)24-14)19-9-17-5-6-18(10-21(17)30-23(19)29)27-8-7-26(4)15(2)12-27;2*1-14-12-25(13-15(2)24-14)18-8-7-17-9-19(23(26)28-21(17)11-18)22-10-16-5-3-4-6-20(16)27-22;1-13-11-30-12-17(28-20(30)19(27-13)22(23,24)25)16-9-14-3-4-15(10-18(14)32-21(16)31)29-7-2-5-26-6-8-29/h6-10,13,15-16H,11-12H2,1-5H3;5-6,9-11,13,15H,7-8,12H2,1-4H3;2*3-11,14-15,24H,12-13H2,1-2H3;3-4,9-12,26H,2,5-8H2,1H3/t15-,16+;15-;2*14-,15+;/m.1.../s1.

What are the key properties of bis(3-(1-benzofuran-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one);7-(1,4-diazepan-1-yl)-3-[6-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one?

bis(3-(1-benzofuran-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one);7-(1,4-diazepan-1-yl)-3-[6-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one has a molecular weight of 2013.31 g/mol, XLogP of 19.32, 10 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-(1-benzofuran-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one);7-(1,4-diazepan-1-yl)-3-[6-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one is sourced from PubChem (CID 160687384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).