3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one

C102H99ClN20O10S3 — CID 159075896

About 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one

3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one (PubChem CID 159075896) has the molecular formula C102H99ClN20O10S3 and a molecular weight of 1896.70 g/mol. Its IUPAC name is 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one.

Molecular Properties

• Compound Name: 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one
• PubChem CID: 159075896
• Molecular Formula: C102H99ClN20O10S3
• Molecular Weight: 1896.70 g/mol
• Exact Mass: 1894.67
• IUPAC Name: 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one
• SMILES: CCN1CCN(c2ccc3cc(-c4cn5cc(C)ccc5n4)c(=O)oc3c2)CC1.CN1CCN(c2ccc3cc(-c4cn5cc(Cl)ccc5n4)c(=O)oc3c2)CC1.Cc1cn2cc(-c3cc4ccc(N5CCN(C)CC5)cc4oc3=O)nc2s1.Cc1cn2cc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)nc2s1.Cc1csc2nc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)cn12
• InChI: InChI=1S/C23H24N4O2.C21H19ClN4O2.C20H20N4O2S.2C19H18N4O2S/c1-3-25-8-10-26(11-9-25)18-6-5-17-12-19(23(28)29-21(17)13-18)20-15-27-14-16(2)4-7-22(27)24-20;1-24-6-8-25(9-7-24)16-4-2-14-10-17(21(27)28-19(14)11-16)18-13-26-12-15(22)3-5-20(26)23-18;1-13-11-24-12-17(21-20(24)27-13)16-9-14-3-4-15(10-18(14)26-19(16)25)23-7-5-22(2)6-8-23;1-12-11-26-19-21-16(10-23(12)19)15-8-13-2-3-14(9-17(13)25-18(15)24)22-6-4-20-5-7-22;1-12-10-23-11-16(21-19(23)26-12)15-8-13-2-3-14(9-17(13)25-18(15)24)22-6-4-20-5-7-22/h4-7,12-15H,3,8-11H2,1-2H3;2-5,10-13H,6-9H2,1H3;3-4,9-12H,5-8H2,1-2H3;2*2-3,8-11,20H,4-7H2,1H3
• InChIKey: KAFZVZQPMICSLJ-UHFFFAOYSA-N
• XLogP: 16.07
• TPSA: 287.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 11
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1896.70
LogP ≤ 5	16.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one?

The IUPAC name of 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one (CID 159075896) is 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one.

What is the SMILES notation for 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one?

The canonical SMILES for 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one is CCN1CCN(c2ccc3cc(-c4cn5cc(C)ccc5n4)c(=O)oc3c2)CC1.CN1CCN(c2ccc3cc(-c4cn5cc(Cl)ccc5n4)c(=O)oc3c2)CC1.Cc1cn2cc(-c3cc4ccc(N5CCN(C)CC5)cc4oc3=O)nc2s1.Cc1cn2cc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)nc2s1.Cc1csc2nc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)cn12.

What is the InChIKey of 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one?

The InChIKey is KAFZVZQPMICSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2.C21H19ClN4O2.C20H20N4O2S.2C19H18N4O2S/c1-3-25-8-10-26(11-9-25)18-6-5-17-12-19(23(28)29-21(17)13-18)20-15-27-14-16(2)4-7-22(27)24-20;1-24-6-8-25(9-7-24)16-4-2-14-10-17(21(27)28-19(14)11-16)18-13-26-12-15(22)3-5-20(26)23-18;1-13-11-24-12-17(21-20(24)27-13)16-9-14-3-4-15(10-18(14)26-19(16)25)23-7-5-22(2)6-8-23;1-12-11-26-19-21-16(10-23(12)19)15-8-13-2-3-14(9-17(13)25-18(15)24)22-6-4-20-5-7-22;1-12-10-23-11-16(21-19(23)26-12)15-8-13-2-3-14(9-17(13)25-18(15)24)22-6-4-20-5-7-22/h4-7,12-15H,3,8-11H2,1-2H3;2-5,10-13H,6-9H2,1H3;3-4,9-12H,5-8H2,1-2H3;2*2-3,8-11,20H,4-7H2,1H3.

What are the key properties of 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one?

3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one has a molecular weight of 1896.70 g/mol, XLogP of 16.07, 11 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylchromen-2-one is sourced from PubChem (CID 159075896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).