7-(1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one

C109H111N19O11 — CID 158152643

About 7-(1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one

7-(1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one (PubChem CID 158152643) has the molecular formula C109H111N19O11 and a molecular weight of 1863.21 g/mol. Its IUPAC name is 7-(1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one.

Molecular Properties

• Compound Name: 7-(1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one
• PubChem CID: 158152643
• Molecular Formula: C109H111N19O11
• Molecular Weight: 1863.21 g/mol
• Exact Mass: 1861.87
• IUPAC Name: 7-(1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one
• SMILES: COc1cccc(-c2cc3ccc(N4CCNCC4)cc3oc2=O)n1.Cc1ccn2cc(-c3cc4ccc(N5CCCN(C)CC5)cc4oc3=O)nc2c1.Cc1ccn2cc(-c3cc4ccc(N5CCCNCC5)cc4oc3=O)nc2c1.Cc1ccn2cc(-c3cc4ccc(N5CCNC(C)(C)C5)cc4oc3=O)nc2c1.Cc1ccn2cc(-c3cc4ccc(N5CCN[C@H](C)C5)cc4oc3=O)nc2c1
• InChI: InChI=1S/2C23H24N4O2.2C22H22N4O2.C19H19N3O3/c1-15-6-8-26-13-19(25-21(26)10-15)18-11-16-4-5-17(12-20(16)29-22(18)28)27-9-7-24-23(2,3)14-27;1-16-6-9-27-15-20(24-22(27)12-16)19-13-17-4-5-18(14-21(17)29-23(19)28)26-8-3-7-25(2)10-11-26;1-14-5-7-26-13-19(24-21(26)9-14)18-10-16-3-4-17(11-20(16)28-22(18)27)25-8-6-23-15(2)12-25;1-15-5-9-26-14-19(24-21(26)11-15)18-12-16-3-4-17(13-20(16)28-22(18)27)25-8-2-6-23-7-10-25;1-24-18-4-2-3-16(21-18)15-11-13-5-6-14(12-17(13)25-19(15)23)22-9-7-20-8-10-22/h4-6,8,10-13,24H,7,9,14H2,1-3H3;4-6,9,12-15H,3,7-8,10-11H2,1-2H3;3-5,7,9-11,13,15,23H,6,8,12H2,1-2H3;3-5,9,11-14,23H,2,6-8,10H2,1H3;2-6,11-12,20H,7-10H2,1H3/t;;15-;;/m..1../s1
• InChIKey: FVHNCUNDJLRCDG-DZXWOVLVSA-N
• XLogP: 15.87
• TPSA: 309.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 11
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1863.21
LogP ≤ 5	15.87
H-Bond Donors ≤ 5	4
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-(1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one?

The IUPAC name of 7-(1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one (CID 158152643) is 7-(1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one.

What is the SMILES notation for 7-(1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one?

The canonical SMILES for 7-(1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one is COc1cccc(-c2cc3ccc(N4CCNCC4)cc3oc2=O)n1.Cc1ccn2cc(-c3cc4ccc(N5CCCN(C)CC5)cc4oc3=O)nc2c1.Cc1ccn2cc(-c3cc4ccc(N5CCCNCC5)cc4oc3=O)nc2c1.Cc1ccn2cc(-c3cc4ccc(N5CCNC(C)(C)C5)cc4oc3=O)nc2c1.Cc1ccn2cc(-c3cc4ccc(N5CCN[C@H](C)C5)cc4oc3=O)nc2c1.

What is the InChIKey of 7-(1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one?

The InChIKey is FVHNCUNDJLRCDG-DZXWOVLVSA-N. The full InChI is InChI=1S/2C23H24N4O2.2C22H22N4O2.C19H19N3O3/c1-15-6-8-26-13-19(25-21(26)10-15)18-11-16-4-5-17(12-20(16)29-22(18)28)27-9-7-24-23(2,3)14-27;1-16-6-9-27-15-20(24-22(27)12-16)19-13-17-4-5-18(14-21(17)29-23(19)28)26-8-3-7-25(2)10-11-26;1-14-5-7-26-13-19(24-21(26)9-14)18-10-16-3-4-17(11-20(16)28-22(18)27)25-8-6-23-15(2)12-25;1-15-5-9-26-14-19(24-21(26)11-15)18-12-16-3-4-17(13-20(16)28-22(18)27)25-8-2-6-23-7-10-25;1-24-18-4-2-3-16(21-18)15-11-13-5-6-14(12-17(13)25-19(15)23)22-9-7-20-8-10-22/h4-6,8,10-13,24H,7,9,14H2,1-3H3;4-6,9,12-15H,3,7-8,10-11H2,1-2H3;3-5,7,9-11,13,15,23H,6,8,12H2,1-2H3;3-5,9,11-14,23H,2,6-8,10H2,1H3;2-6,11-12,20H,7-10H2,1H3/t;;15-;;/m..1../s1.

What are the key properties of 7-(1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one?

7-(1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one has a molecular weight of 1863.21 g/mol, XLogP of 15.87, 11 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one is sourced from PubChem (CID 158152643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).