7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(7-ethylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one

C107H114N18O10S2 — CID 157302051

About 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(7-ethylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one

7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(7-ethylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one (PubChem CID 157302051) has the molecular formula C107H114N18O10S2 and a molecular weight of 1876.34 g/mol. Its IUPAC name is 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(7-ethylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one.

Molecular Properties

• Compound Name: 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(7-ethylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
• PubChem CID: 157302051
• Molecular Formula: C107H114N18O10S2
• Molecular Weight: 1876.34 g/mol
• Exact Mass: 1874.84
• IUPAC Name: 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(7-ethylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
• SMILES: CCc1ccn2cc(-c3cc4ccc(N5CCN(C)CC5)cc4oc3=O)nc2c1.CCc1ccn2cc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)nc2c1.CCc1ccn2cc(-c3cc4ccc(N5C[C@@H](C)N[C@@H](C)C5)cc4oc3=O)nc2c1.Cc1csc(-c2cc3ccc(N4CCCN(C)CC4)cc3oc2=O)n1.Cc1csc(-c2cc3ccc(N4C[C@@H](C)N[C@@H](C)C4)cc3oc2=O)n1
• InChI: InChI=1S/C24H26N4O2.C23H24N4O2.C22H22N4O2.2C19H21N3O2S/c1-4-17-7-8-27-14-21(26-23(27)9-17)20-10-18-5-6-19(11-22(18)30-24(20)29)28-12-15(2)25-16(3)13-28;1-3-16-6-7-27-15-20(24-22(27)12-16)19-13-17-4-5-18(14-21(17)29-23(19)28)26-10-8-25(2)9-11-26;1-2-15-5-8-26-14-19(24-21(26)11-15)18-12-16-3-4-17(13-20(16)28-22(18)27)25-9-6-23-7-10-25;1-11-8-22(9-12(2)20-11)15-5-4-14-6-16(18-21-13(3)10-25-18)19(23)24-17(14)7-15;1-13-12-25-18(20-13)16-10-14-4-5-15(11-17(14)24-19(16)23)22-7-3-6-21(2)8-9-22/h5-11,14-16,25H,4,12-13H2,1-3H3;4-7,12-15H,3,8-11H2,1-2H3;3-5,8,11-14,23H,2,6-7,9-10H2,1H3;4-7,10-12,20H,8-9H2,1-3H3;4-5,10-12H,3,6-9H2,1-2H3/t15-,16+;;;11-,12+
• InChIKey: BCABOFGNSCBMOV-WIEPCYGFSA-N
• XLogP: 17.14
• TPSA: 287.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 13
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1876.34
LogP ≤ 5	17.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

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-(7-ethylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one?

The IUPAC name of 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(7-ethylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one (CID 157302051) is 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(7-ethylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one.

What is the SMILES notation for 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(7-ethylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one?

The canonical SMILES for 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(7-ethylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one is CCc1ccn2cc(-c3cc4ccc(N5CCN(C)CC5)cc4oc3=O)nc2c1.CCc1ccn2cc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)nc2c1.CCc1ccn2cc(-c3cc4ccc(N5C[C@@H](C)N[C@@H](C)C5)cc4oc3=O)nc2c1.Cc1csc(-c2cc3ccc(N4CCCN(C)CC4)cc3oc2=O)n1.Cc1csc(-c2cc3ccc(N4C[C@@H](C)N[C@@H](C)C4)cc3oc2=O)n1.

What is the InChIKey of 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(7-ethylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one?

The InChIKey is BCABOFGNSCBMOV-WIEPCYGFSA-N. The full InChI is InChI=1S/C24H26N4O2.C23H24N4O2.C22H22N4O2.2C19H21N3O2S/c1-4-17-7-8-27-14-21(26-23(27)9-17)20-10-18-5-6-19(11-22(18)30-24(20)29)28-12-15(2)25-16(3)13-28;1-3-16-6-7-27-15-20(24-22(27)12-16)19-13-17-4-5-18(14-21(17)29-23(19)28)26-10-8-25(2)9-11-26;1-2-15-5-8-26-14-19(24-21(26)11-15)18-12-16-3-4-17(13-20(16)28-22(18)27)25-9-6-23-7-10-25;1-11-8-22(9-12(2)20-11)15-5-4-14-6-16(18-21-13(3)10-25-18)19(23)24-17(14)7-15;1-13-12-25-18(20-13)16-10-14-4-5-15(11-17(14)24-19(16)23)22-7-3-6-21(2)8-9-22/h5-11,14-16,25H,4,12-13H2,1-3H3;4-7,12-15H,3,8-11H2,1-2H3;3-5,8,11-14,23H,2,6-7,9-10H2,1H3;4-7,10-12,20H,8-9H2,1-3H3;4-5,10-12H,3,6-9H2,1-2H3/t15-,16+;;;11-,12+;.

What are the key properties of 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(7-ethylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one?

7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(7-ethylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one has a molecular weight of 1876.34 g/mol, XLogP of 17.14, 13 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(7-ethylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(7-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one is sourced from PubChem (CID 157302051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).