3-(1,3-benzothiazol-2-yl)-7-[[2-hydroxyethyl(methyl)amino]methyl]chromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(4-methyl-1H-pyrazol-5-yl)-7-piperazin-1-ylchromen-2-one

C103H101ClN18O11S — CID 157458614

About 3-(1,3-benzothiazol-2-yl)-7-[[2-hydroxyethyl(methyl)amino]methyl]chromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(4-methyl-1H-pyrazol-5-yl)-7-piperazin-1-ylchromen-2-one

3-(1,3-benzothiazol-2-yl)-7-[[2-hydroxyethyl(methyl)amino]methyl]chromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(4-methyl-1H-pyrazol-5-yl)-7-piperazin-1-ylchromen-2-one (PubChem CID 157458614) has the molecular formula C103H101ClN18O11S and a molecular weight of 1834.58 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-7-[[2-hydroxyethyl(methyl)amino]methyl]chromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(4-methyl-1H-pyrazol-5-yl)-7-piperazin-1-ylchromen-2-one.

Molecular Properties

• Compound Name: 3-(1,3-benzothiazol-2-yl)-7-[[2-hydroxyethyl(methyl)amino]methyl]chromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(4-methyl-1H-pyrazol-5-yl)-7-piperazin-1-ylchromen-2-one
• PubChem CID: 157458614
• Molecular Formula: C103H101ClN18O11S
• Molecular Weight: 1834.58 g/mol
• Exact Mass: 1832.73
• IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-[[2-hydroxyethyl(methyl)amino]methyl]chromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(4-methyl-1H-pyrazol-5-yl)-7-piperazin-1-ylchromen-2-one
• SMILES: CN(CCO)Cc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1.Cc1ccc2nc(-c3cc4ccc(N5CCN(C(C)C)CC5)cc4oc3=O)cn2c1.Cc1ccc2nc(-c3cc4ccc(N5CCN(C)CC5)cc4oc3=O)cn2c1.Cc1cn[nH]c1-c1cc2ccc(N3CCNCC3)cc2oc1=O.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cn2cccc(Cl)c2n1
• InChI: InChI=1S/C24H26N4O2.C22H22N4O2.C20H17ClN4O2.C20H18N2O3S.C17H18N4O2/c1-16(2)26-8-10-27(11-9-26)19-6-5-18-12-20(24(29)30-22(18)13-19)21-15-28-14-17(3)4-7-23(28)25-21;1-15-3-6-21-23-19(14-26(21)13-15)18-11-16-4-5-17(12-20(16)28-22(18)27)25-9-7-24(2)8-10-25;21-16-2-1-7-25-12-17(23-19(16)25)15-10-13-3-4-14(11-18(13)27-20(15)26)24-8-5-22-6-9-24;1-22(8-9-23)12-13-6-7-14-11-15(20(24)25-17(14)10-13)19-21-16-4-2-3-5-18(16)26-19;1-11-10-19-20-16(11)14-8-12-2-3-13(9-15(12)23-17(14)22)21-6-4-18-5-7-21/h4-7,12-16H,8-11H2,1-3H3;3-6,11-14H,7-10H2,1-2H3;1-4,7,10-12,22H,5-6,8-9H2;2-7,10-11,23H,8-9,12H2,1H3;2-3,8-10,18H,4-7H2,1H3,(H,19,20)
• InChIKey: BTQSPFTZNFHZBA-UHFFFAOYSA-N
• XLogP: 15.68
• TPSA: 311.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 14
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1834.58
LogP ≤ 5	15.68
H-Bond Donors ≤ 5	4
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 3-(1,3-benzothiazol-2-yl)-7-[[2-hydroxyethyl(methyl)amino]methyl]chromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(4-methyl-1H-pyrazol-5-yl)-7-piperazin-1-ylchromen-2-one?

The IUPAC name of 3-(1,3-benzothiazol-2-yl)-7-[[2-hydroxyethyl(methyl)amino]methyl]chromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(4-methyl-1H-pyrazol-5-yl)-7-piperazin-1-ylchromen-2-one (CID 157458614) is 3-(1,3-benzothiazol-2-yl)-7-[[2-hydroxyethyl(methyl)amino]methyl]chromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(4-methyl-1H-pyrazol-5-yl)-7-piperazin-1-ylchromen-2-one.

What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-7-[[2-hydroxyethyl(methyl)amino]methyl]chromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(4-methyl-1H-pyrazol-5-yl)-7-piperazin-1-ylchromen-2-one?

The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-7-[[2-hydroxyethyl(methyl)amino]methyl]chromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(4-methyl-1H-pyrazol-5-yl)-7-piperazin-1-ylchromen-2-one is CN(CCO)Cc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1.Cc1ccc2nc(-c3cc4ccc(N5CCN(C(C)C)CC5)cc4oc3=O)cn2c1.Cc1ccc2nc(-c3cc4ccc(N5CCN(C)CC5)cc4oc3=O)cn2c1.Cc1cn[nH]c1-c1cc2ccc(N3CCNCC3)cc2oc1=O.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cn2cccc(Cl)c2n1.

What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-7-[[2-hydroxyethyl(methyl)amino]methyl]chromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(4-methyl-1H-pyrazol-5-yl)-7-piperazin-1-ylchromen-2-one?

The InChIKey is BTQSPFTZNFHZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2.C22H22N4O2.C20H17ClN4O2.C20H18N2O3S.C17H18N4O2/c1-16(2)26-8-10-27(11-9-26)19-6-5-18-12-20(24(29)30-22(18)13-19)21-15-28-14-17(3)4-7-23(28)25-21;1-15-3-6-21-23-19(14-26(21)13-15)18-11-16-4-5-17(12-20(16)28-22(18)27)25-9-7-24(2)8-10-25;21-16-2-1-7-25-12-17(23-19(16)25)15-10-13-3-4-14(11-18(13)27-20(15)26)24-8-5-22-6-9-24;1-22(8-9-23)12-13-6-7-14-11-15(20(24)25-17(14)10-13)19-21-16-4-2-3-5-18(16)26-19;1-11-10-19-20-16(11)14-8-12-2-3-13(9-15(12)23-17(14)22)21-6-4-18-5-7-21/h4-7,12-16H,8-11H2,1-3H3;3-6,11-14H,7-10H2,1-2H3;1-4,7,10-12,22H,5-6,8-9H2;2-7,10-11,23H,8-9,12H2,1H3;2-3,8-10,18H,4-7H2,1H3,(H,19,20).

What are the key properties of 3-(1,3-benzothiazol-2-yl)-7-[[2-hydroxyethyl(methyl)amino]methyl]chromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(4-methyl-1H-pyrazol-5-yl)-7-piperazin-1-ylchromen-2-one?

3-(1,3-benzothiazol-2-yl)-7-[[2-hydroxyethyl(methyl)amino]methyl]chromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(4-methyl-1H-pyrazol-5-yl)-7-piperazin-1-ylchromen-2-one has a molecular weight of 1834.58 g/mol, XLogP of 15.68, 14 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzothiazol-2-yl)-7-[[2-hydroxyethyl(methyl)amino]methyl]chromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(4-methyl-1H-pyrazol-5-yl)-7-piperazin-1-ylchromen-2-one is sourced from PubChem (CID 157458614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).