7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methoxy-4-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(6-methyl-3-pyridinyl)chromen-2-one;3-(6-methyl-3-pyridinyl)-7-piperazin-1-ylchromen-2-one

C102H105N17O11S — CID 160976058

About 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methoxy-4-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(6-methyl-3-pyridinyl)chromen-2-one;3-(6-methyl-3-pyridinyl)-7-piperazin-1-ylchromen-2-one

7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methoxy-4-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(6-methyl-3-pyridinyl)chromen-2-one;3-(6-methyl-3-pyridinyl)-7-piperazin-1-ylchromen-2-one (PubChem CID 160976058) has the molecular formula C102H105N17O11S and a molecular weight of 1777.14 g/mol. Its IUPAC name is 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methoxy-4-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(6-methyl-3-pyridinyl)chromen-2-one;3-(6-methyl-3-pyridinyl)-7-piperazin-1-ylchromen-2-one.

Molecular Properties

• Compound Name: 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methoxy-4-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(6-methyl-3-pyridinyl)chromen-2-one;3-(6-methyl-3-pyridinyl)-7-piperazin-1-ylchromen-2-one
• PubChem CID: 160976058
• Molecular Formula: C102H105N17O11S
• Molecular Weight: 1777.14 g/mol
• Exact Mass: 1775.79
• IUPAC Name: 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methoxy-4-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(6-methyl-3-pyridinyl)chromen-2-one;3-(6-methyl-3-pyridinyl)-7-piperazin-1-ylchromen-2-one
• SMILES: COc1cc(-c2cc3ccc(N4CCN(C)CC4)cc3oc2=O)ccn1.C[C@@H]1CN(c2ccc3cc(-c4cn5ccsc5n4)c(=O)oc3c2)C[C@H](C)N1.Cc1ccc(-c2cc3ccc(N4CCN(C)CC4)cc3oc2=O)cn1.Cc1ccc(-c2cc3ccc(N4CCNCC4)cc3oc2=O)cn1.Cc1cccn2cc(-c3cc4ccc(N5C[C@H](C)NC[C@H]5C)cc4oc3=O)nc12
• InChI: InChI=1S/C23H24N4O2.C20H20N4O2S.C20H21N3O3.C20H21N3O2.C19H19N3O2/c1-14-5-4-8-26-13-20(25-22(14)26)19-9-17-6-7-18(10-21(17)29-23(19)28)27-12-15(2)24-11-16(27)3;1-12-9-24(10-13(2)21-12)15-4-3-14-7-16(19(25)26-18(14)8-15)17-11-23-5-6-27-20(23)22-17;1-22-7-9-23(10-8-22)16-4-3-15-11-17(20(24)26-18(15)13-16)14-5-6-21-19(12-14)25-2;1-14-3-4-16(13-21-14)18-11-15-5-6-17(12-19(15)25-20(18)24)23-9-7-22(2)8-10-23;1-13-2-3-15(12-21-13)17-10-14-4-5-16(11-18(14)24-19(17)23)22-8-6-20-7-9-22/h4-10,13,15-16,24H,11-12H2,1-3H3;3-8,11-13,21H,9-10H2,1-2H3;3-6,11-13H,7-10H2,1-2H3;3-6,11-13H,7-10H2,1-2H3;2-5,10-12,20H,6-9H2,1H3/t15-,16+;12-,13+;;;/m0..../s1
• InChIKey: SYWNYSREOPHAHB-DEMQRWQSSA-N
• XLogP: 15.06
• TPSA: 292.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 11
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1777.14
LogP ≤ 5	15.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methoxy-4-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(6-methyl-3-pyridinyl)chromen-2-one;3-(6-methyl-3-pyridinyl)-7-piperazin-1-ylchromen-2-one?

The IUPAC name of 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methoxy-4-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(6-methyl-3-pyridinyl)chromen-2-one;3-(6-methyl-3-pyridinyl)-7-piperazin-1-ylchromen-2-one (CID 160976058) is 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methoxy-4-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(6-methyl-3-pyridinyl)chromen-2-one;3-(6-methyl-3-pyridinyl)-7-piperazin-1-ylchromen-2-one.

What is the SMILES notation for 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methoxy-4-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(6-methyl-3-pyridinyl)chromen-2-one;3-(6-methyl-3-pyridinyl)-7-piperazin-1-ylchromen-2-one?

The canonical SMILES for 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methoxy-4-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(6-methyl-3-pyridinyl)chromen-2-one;3-(6-methyl-3-pyridinyl)-7-piperazin-1-ylchromen-2-one is COc1cc(-c2cc3ccc(N4CCN(C)CC4)cc3oc2=O)ccn1.C[C@@H]1CN(c2ccc3cc(-c4cn5ccsc5n4)c(=O)oc3c2)C[C@H](C)N1.Cc1ccc(-c2cc3ccc(N4CCN(C)CC4)cc3oc2=O)cn1.Cc1ccc(-c2cc3ccc(N4CCNCC4)cc3oc2=O)cn1.Cc1cccn2cc(-c3cc4ccc(N5C[C@H](C)NC[C@H]5C)cc4oc3=O)nc12.

What is the InChIKey of 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methoxy-4-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(6-methyl-3-pyridinyl)chromen-2-one;3-(6-methyl-3-pyridinyl)-7-piperazin-1-ylchromen-2-one?

The InChIKey is SYWNYSREOPHAHB-DEMQRWQSSA-N. The full InChI is InChI=1S/C23H24N4O2.C20H20N4O2S.C20H21N3O3.C20H21N3O2.C19H19N3O2/c1-14-5-4-8-26-13-20(25-22(14)26)19-9-17-6-7-18(10-21(17)29-23(19)28)27-12-15(2)24-11-16(27)3;1-12-9-24(10-13(2)21-12)15-4-3-14-7-16(19(25)26-18(14)8-15)17-11-23-5-6-27-20(23)22-17;1-22-7-9-23(10-8-22)16-4-3-15-11-17(20(24)26-18(15)13-16)14-5-6-21-19(12-14)25-2;1-14-3-4-16(13-21-14)18-11-15-5-6-17(12-19(15)25-20(18)24)23-9-7-22(2)8-10-23;1-13-2-3-15(12-21-13)17-10-14-4-5-16(11-18(14)24-19(17)23)22-8-6-20-7-9-22/h4-10,13,15-16,24H,11-12H2,1-3H3;3-8,11-13,21H,9-10H2,1-2H3;3-6,11-13H,7-10H2,1-2H3;3-6,11-13H,7-10H2,1-2H3;2-5,10-12,20H,6-9H2,1H3/t15-,16+;12-,13+;;;/m0..../s1.

What are the key properties of 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methoxy-4-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(6-methyl-3-pyridinyl)chromen-2-one;3-(6-methyl-3-pyridinyl)-7-piperazin-1-ylchromen-2-one?

7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methoxy-4-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(6-methyl-3-pyridinyl)chromen-2-one;3-(6-methyl-3-pyridinyl)-7-piperazin-1-ylchromen-2-one has a molecular weight of 1777.14 g/mol, XLogP of 15.06, 11 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methoxy-4-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(6-methyl-3-pyridinyl)chromen-2-one;3-(6-methyl-3-pyridinyl)-7-piperazin-1-ylchromen-2-one is sourced from PubChem (CID 160976058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).