3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]chromen-2-one

C102H95ClF5N21O10S — CID 160957686

About 3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]chromen-2-one

3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]chromen-2-one (PubChem CID 160957686) has the molecular formula C102H95ClF5N21O10S and a molecular weight of 1937.53 g/mol. Its IUPAC name is 3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]chromen-2-one.

Molecular Properties

• Compound Name: 3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]chromen-2-one
• PubChem CID: 160957686
• Molecular Formula: C102H95ClF5N21O10S
• Molecular Weight: 1937.53 g/mol
• Exact Mass: 1935.69
• IUPAC Name: 3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]chromen-2-one
• SMILES: C[C@@H]1CN(c2ccc3cc(-c4cn5cc(F)cnc5n4)c(=O)oc3c2)C[C@H](C)N1.C[C@H]1CN(c2ccc3cc(-c4cccc(C(F)(F)F)c4)c(=O)oc3c2)CCN1.C[C@H]1CN(c2ccc3cc(-c4cn5cc(F)cnc5n4)c(=O)oc3c2)CCN1.Cc1cn2cc(-c3cc4ccc(N5CCCN(C)CC5)cc4oc3=O)nc2cn1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cn2cc(Cl)sc2n1
• InChI: InChI=1S/C22H23N5O2.C21H19F3N2O2.C21H20FN5O2.C20H18FN5O2.C18H15ClN4O2S/c1-15-13-27-14-19(24-21(27)12-23-15)18-10-16-4-5-17(11-20(16)29-22(18)28)26-7-3-6-25(2)8-9-26;1-13-12-26(8-7-25-13)17-6-5-15-10-18(20(27)28-19(15)11-17)14-3-2-4-16(9-14)21(22,23)24;1-12-8-26(9-13(2)24-12)16-4-3-14-5-17(20(28)29-19(14)6-16)18-11-27-10-15(22)7-23-21(27)25-18;1-12-9-25(5-4-22-12)15-3-2-13-6-16(19(27)28-18(13)7-15)17-11-26-10-14(21)8-23-20(26)24-17;19-16-10-23-9-14(21-18(23)26-16)13-7-11-1-2-12(8-15(11)25-17(13)24)22-5-3-20-4-6-22/h4-5,10-14H,3,6-9H2,1-2H3;2-6,9-11,13,25H,7-8,12H2,1H3;3-7,10-13,24H,8-9H2,1-2H3;2-3,6-8,10-12,22H,4-5,9H2,1H3;1-2,7-10,20H,3-6H2/t;13-;12-,13+;12-;/m.0.0./s1
• InChIKey: SWPKCVYXDQTRHF-OMDKUXRRSA-N
• XLogP: 15.73
• TPSA: 326.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 10
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1937.53
LogP ≤ 5	15.73
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 3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]chromen-2-one?

The IUPAC name of 3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]chromen-2-one (CID 160957686) is 3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]chromen-2-one.

What is the SMILES notation for 3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]chromen-2-one?

The canonical SMILES for 3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]chromen-2-one is C[C@@H]1CN(c2ccc3cc(-c4cn5cc(F)cnc5n4)c(=O)oc3c2)C[C@H](C)N1.C[C@H]1CN(c2ccc3cc(-c4cccc(C(F)(F)F)c4)c(=O)oc3c2)CCN1.C[C@H]1CN(c2ccc3cc(-c4cn5cc(F)cnc5n4)c(=O)oc3c2)CCN1.Cc1cn2cc(-c3cc4ccc(N5CCCN(C)CC5)cc4oc3=O)nc2cn1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cn2cc(Cl)sc2n1.

What is the InChIKey of 3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]chromen-2-one?

The InChIKey is SWPKCVYXDQTRHF-OMDKUXRRSA-N. The full InChI is InChI=1S/C22H23N5O2.C21H19F3N2O2.C21H20FN5O2.C20H18FN5O2.C18H15ClN4O2S/c1-15-13-27-14-19(24-21(27)12-23-15)18-10-16-4-5-17(11-20(16)29-22(18)28)26-7-3-6-25(2)8-9-26;1-13-12-26(8-7-25-13)17-6-5-15-10-18(20(27)28-19(15)11-17)14-3-2-4-16(9-14)21(22,23)24;1-12-8-26(9-13(2)24-12)16-4-3-14-5-17(20(28)29-19(14)6-16)18-11-27-10-15(22)7-23-21(27)25-18;1-12-9-25(5-4-22-12)15-3-2-13-6-16(19(27)28-18(13)7-15)17-11-26-10-14(21)8-23-20(26)24-17;19-16-10-23-9-14(21-18(23)26-16)13-7-11-1-2-12(8-15(11)25-17(13)24)22-5-3-20-4-6-22/h4-5,10-14H,3,6-9H2,1-2H3;2-6,9-11,13,25H,7-8,12H2,1H3;3-7,10-13,24H,8-9H2,1-2H3;2-3,6-8,10-12,22H,4-5,9H2,1H3;1-2,7-10,20H,3-6H2/t;13-;12-,13+;12-;/m.0.0./s1.

What are the key properties of 3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]chromen-2-one?

3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]chromen-2-one has a molecular weight of 1937.53 g/mol, XLogP of 15.73, 10 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]chromen-2-one is sourced from PubChem (CID 160957686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).