7-(1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-b]pyridazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one;7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one

C109H109N21O10S2 — CID 158519833

About 7-(1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-b]pyridazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one;7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one

7-(1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-b]pyridazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one;7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one (PubChem CID 158519833) has the molecular formula C109H109N21O10S2 and a molecular weight of 1937.34 g/mol. Its IUPAC name is 7-(1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-b]pyridazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one;7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one.

Molecular Properties

• Compound Name: 7-(1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-b]pyridazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one;7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one
• PubChem CID: 158519833
• Molecular Formula: C109H109N21O10S2
• Molecular Weight: 1937.34 g/mol
• Exact Mass: 1935.81
• IUPAC Name: 7-(1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-b]pyridazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one;7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one
• SMILES: CCN1CCN(c2ccc3cc(-c4cn5cc(C)ncc5n4)c(=O)oc3c2)C[C@@H]1C.C[C@@H]1CN(c2ccc3cc(-c4cc5cnccc5s4)c(=O)oc3c2)C[C@H](C)N1.C[C@H]1CN(c2ccc3cc(-c4cc5cnccc5s4)c(=O)oc3c2)CCN1.Cc1ccc2nc(-c3cc4ccc(N5CCCNCC5)cc4oc3=O)cn2n1.Cc1cn2cc(-c3cc4ccc(N5CCN(C)[C@H](C)C5)cc4oc3=O)nc2cn1
• InChI: InChI=1S/C23H25N5O2.C22H23N5O2.C22H21N3O2S.C21H21N5O2.C21H19N3O2S/c1-4-26-7-8-27(13-16(26)3)18-6-5-17-9-19(23(29)30-21(17)10-18)20-14-28-12-15(2)24-11-22(28)25-20;1-14-11-27-13-19(24-21(27)10-23-14)18-8-16-4-5-17(9-20(16)29-22(18)28)26-7-6-25(3)15(2)12-26;1-13-11-25(12-14(2)24-13)17-4-3-15-7-18(22(26)27-19(15)9-17)21-8-16-10-23-6-5-20(16)28-21;1-14-3-6-20-23-18(13-26(20)24-14)17-11-15-4-5-16(12-19(15)28-21(17)27)25-9-2-7-22-8-10-25;1-13-12-24(7-6-23-13)16-3-2-14-8-17(21(25)26-18(14)10-16)20-9-15-11-22-5-4-19(15)27-20/h5-6,9-12,14,16H,4,7-8,13H2,1-3H3;4-5,8-11,13,15H,6-7,12H2,1-3H3;3-10,13-14,24H,11-12H2,1-2H3;3-6,11-13,22H,2,7-10H2,1H3;2-5,8-11,13,23H,6-7,12H2,1H3/t16-;15-;13-,14+;;13-/m01..0/s1
• InChIKey: HMBUWSGSJCKWTM-UQBFMBARSA-N
• XLogP: 17.03
• TPSA: 326.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 11
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1937.34
LogP ≤ 5	17.03
H-Bond Donors ≤ 5	3
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 7-(1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-b]pyridazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one;7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one?

The IUPAC name of 7-(1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-b]pyridazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one;7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one (CID 158519833) is 7-(1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-b]pyridazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one;7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one.

What is the SMILES notation for 7-(1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-b]pyridazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one;7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one?

The canonical SMILES for 7-(1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-b]pyridazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one;7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one is CCN1CCN(c2ccc3cc(-c4cn5cc(C)ncc5n4)c(=O)oc3c2)C[C@@H]1C.C[C@@H]1CN(c2ccc3cc(-c4cc5cnccc5s4)c(=O)oc3c2)C[C@H](C)N1.C[C@H]1CN(c2ccc3cc(-c4cc5cnccc5s4)c(=O)oc3c2)CCN1.Cc1ccc2nc(-c3cc4ccc(N5CCCNCC5)cc4oc3=O)cn2n1.Cc1cn2cc(-c3cc4ccc(N5CCN(C)[C@H](C)C5)cc4oc3=O)nc2cn1.

What is the InChIKey of 7-(1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-b]pyridazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one;7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one?

The InChIKey is HMBUWSGSJCKWTM-UQBFMBARSA-N. The full InChI is InChI=1S/C23H25N5O2.C22H23N5O2.C22H21N3O2S.C21H21N5O2.C21H19N3O2S/c1-4-26-7-8-27(13-16(26)3)18-6-5-17-9-19(23(29)30-21(17)10-18)20-14-28-12-15(2)24-11-22(28)25-20;1-14-11-27-13-19(24-21(27)10-23-14)18-8-16-4-5-17(9-20(16)29-22(18)28)26-7-6-25(3)15(2)12-26;1-13-11-25(12-14(2)24-13)17-4-3-15-7-18(22(26)27-19(15)9-17)21-8-16-10-23-6-5-20(16)28-21;1-14-3-6-20-23-18(13-26(20)24-14)17-11-15-4-5-16(12-19(15)28-21(17)27)25-9-2-7-22-8-10-25;1-13-12-24(7-6-23-13)16-3-2-14-8-17(21(25)26-18(14)10-16)20-9-15-11-22-5-4-19(15)27-20/h5-6,9-12,14,16H,4,7-8,13H2,1-3H3;4-5,8-11,13,15H,6-7,12H2,1-3H3;3-10,13-14,24H,11-12H2,1-2H3;3-6,11-13,22H,2,7-10H2,1H3;2-5,8-11,13,23H,6-7,12H2,1H3/t16-;15-;13-,14+;;13-/m01..0/s1.

What are the key properties of 7-(1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-b]pyridazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one;7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one?

7-(1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-b]pyridazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one;7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one has a molecular weight of 1937.34 g/mol, XLogP of 17.03, 11 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-b]pyridazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one;7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-thieno[3,2-c]pyridin-2-ylchromen-2-one is sourced from PubChem (CID 158519833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).