7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(1-pyridin-2-ylimidazol-4-yl)chromen-2-one;3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;bis(3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one)

C110H109N21O13S — CID 158076072

About 7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(1-pyridin-2-ylimidazol-4-yl)chromen-2-one;3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;bis(3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one)

7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(1-pyridin-2-ylimidazol-4-yl)chromen-2-one;3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;bis(3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one) (PubChem CID 158076072) has the molecular formula C110H109N21O13S and a molecular weight of 1965.28 g/mol. Its IUPAC name is 7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(1-pyridin-2-ylimidazol-4-yl)chromen-2-one;3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;bis(3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one).

Molecular Properties

• Compound Name: 7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(1-pyridin-2-ylimidazol-4-yl)chromen-2-one;3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;bis(3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one)
• PubChem CID: 158076072
• Molecular Formula: C110H109N21O13S
• Molecular Weight: 1965.28 g/mol
• Exact Mass: 1963.82
• IUPAC Name: 7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(1-pyridin-2-ylimidazol-4-yl)chromen-2-one;3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;bis(3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one)
• SMILES: CN(C)C1[C@H]2CN(c3ccc4cc(-c5cn6ccsc6n5)c(=O)oc4c3)C[C@@H]12.COc1ccn2cc(-c3cc4ccc(N5CCN(C)CC5)cc4oc3=O)nc2c1.COc1ccn2cc(-c3cc4ccc(N5CCN(C)CC5)cc4oc3=O)nc2c1.COc1ccn2cc(-c3cc4ccc(N5CCN[C@@H](C)C5)cc4oc3=O)nc2c1.C[C@@H]1CN(c2ccc3cc(-c4cn(-c5ccccn5)cn4)c(=O)oc3c2)C[C@H](C)N1
• InChI: InChI=1S/C23H23N5O2.3C22H22N4O3.C21H20N4O2S/c1-15-11-27(12-16(2)26-15)18-7-6-17-9-19(23(29)30-21(17)10-18)20-13-28(14-25-20)22-5-3-4-8-24-22;1-14-12-25(8-6-23-14)16-4-3-15-9-18(22(27)29-20(15)10-16)19-13-26-7-5-17(28-2)11-21(26)24-19;2*1-24-7-9-25(10-8-24)16-4-3-15-11-18(22(27)29-20(15)12-16)19-14-26-6-5-17(28-2)13-21(26)23-19;1-23(2)19-15-9-25(10-16(15)19)13-4-3-12-7-14(20(26)27-18(12)8-13)17-11-24-5-6-28-21(24)22-17/h3-10,13-16,26H,11-12H2,1-2H3;3-5,7,9-11,13-14,23H,6,8,12H2,1-2H3;2*3-6,11-14H,7-10H2,1-2H3;3-8,11,15-16,19H,9-10H2,1-2H3/t15-,16+;14-;;;15-,16+,19?/m.0.../s1
• InChIKey: FMJRFJMRWSLLBU-CEFNNBGCSA-N
• XLogP: 15.04
• TPSA: 328.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 35
• Rotatable Bonds: 15
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1965.28
LogP ≤ 5	15.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(1-pyridin-2-ylimidazol-4-yl)chromen-2-one;3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;bis(3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one)?

The IUPAC name of 7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(1-pyridin-2-ylimidazol-4-yl)chromen-2-one;3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;bis(3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one) (CID 158076072) is 7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(1-pyridin-2-ylimidazol-4-yl)chromen-2-one;3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;bis(3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one).

What is the SMILES notation for 7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(1-pyridin-2-ylimidazol-4-yl)chromen-2-one;3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;bis(3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one)?

The canonical SMILES for 7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(1-pyridin-2-ylimidazol-4-yl)chromen-2-one;3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;bis(3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one) is CN(C)C1[C@H]2CN(c3ccc4cc(-c5cn6ccsc6n5)c(=O)oc4c3)C[C@@H]12.COc1ccn2cc(-c3cc4ccc(N5CCN(C)CC5)cc4oc3=O)nc2c1.COc1ccn2cc(-c3cc4ccc(N5CCN(C)CC5)cc4oc3=O)nc2c1.COc1ccn2cc(-c3cc4ccc(N5CCN[C@@H](C)C5)cc4oc3=O)nc2c1.C[C@@H]1CN(c2ccc3cc(-c4cn(-c5ccccn5)cn4)c(=O)oc3c2)C[C@H](C)N1.

What is the InChIKey of 7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(1-pyridin-2-ylimidazol-4-yl)chromen-2-one;3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;bis(3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one)?

The InChIKey is FMJRFJMRWSLLBU-CEFNNBGCSA-N. The full InChI is InChI=1S/C23H23N5O2.3C22H22N4O3.C21H20N4O2S/c1-15-11-27(12-16(2)26-15)18-7-6-17-9-19(23(29)30-21(17)10-18)20-13-28(14-25-20)22-5-3-4-8-24-22;1-14-12-25(8-6-23-14)16-4-3-15-9-18(22(27)29-20(15)10-16)19-13-26-7-5-17(28-2)11-21(26)24-19;2*1-24-7-9-25(10-8-24)16-4-3-15-11-18(22(27)29-20(15)12-16)19-14-26-6-5-17(28-2)13-21(26)23-19;1-23(2)19-15-9-25(10-16(15)19)13-4-3-12-7-14(20(26)27-18(12)8-13)17-11-24-5-6-28-21(24)22-17/h3-10,13-16,26H,11-12H2,1-2H3;3-5,7,9-11,13-14,23H,6,8,12H2,1-2H3;2*3-6,11-14H,7-10H2,1-2H3;3-8,11,15-16,19H,9-10H2,1-2H3/t15-,16+;14-;;;15-,16+,19?/m.0.../s1.

What are the key properties of 7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(1-pyridin-2-ylimidazol-4-yl)chromen-2-one;3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;bis(3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one)?

7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(1-pyridin-2-ylimidazol-4-yl)chromen-2-one;3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;bis(3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one) has a molecular weight of 1965.28 g/mol, XLogP of 15.04, 15 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(1-pyridin-2-ylimidazol-4-yl)chromen-2-one;3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;bis(3-(7-methoxyimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one) is sourced from PubChem (CID 158076072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).