7-(1,4-diazepan-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methoxy-2-pyridinyl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one

C106H110FN17O13 — CID 158832572

About 7-(1,4-diazepan-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methoxy-2-pyridinyl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one

7-(1,4-diazepan-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methoxy-2-pyridinyl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one (PubChem CID 158832572) has the molecular formula C106H110FN17O13 and a molecular weight of 1849.15 g/mol. Its IUPAC name is 7-(1,4-diazepan-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methoxy-2-pyridinyl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one.

Molecular Properties

• Compound Name: 7-(1,4-diazepan-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methoxy-2-pyridinyl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one
• PubChem CID: 158832572
• Molecular Formula: C106H110FN17O13
• Molecular Weight: 1849.15 g/mol
• Exact Mass: 1847.85
• IUPAC Name: 7-(1,4-diazepan-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methoxy-2-pyridinyl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one
• SMILES: CCN1CCN(c2ccc3cc(-c4cccc(OC)n4)c(=O)oc3c2)CC1.CCc1cccn2cc(-c3cc4ccc(N5CCN(C)CC5)cc4oc3=O)nc12.COc1cccc(-c2cc3ccc(N4CCCN(C)CC4)cc3oc2=O)n1.COc1cccc(-c2cc3ccc(N4CCN[C@H](C)C4)cc3oc2=O)n1.O=c1oc2cc(N3CCCNCC3)ccc2cc1-c1cn2cccc(F)c2n1
• InChI: InChI=1S/C23H24N4O2.C21H19FN4O2.2C21H23N3O3.C20H21N3O3/c1-3-16-5-4-8-27-15-20(24-22(16)27)19-13-17-6-7-18(14-21(17)29-23(19)28)26-11-9-25(2)10-12-26;22-17-3-1-8-26-13-18(24-20(17)26)16-11-14-4-5-15(12-19(14)28-21(16)27)25-9-2-6-23-7-10-25;1-23-9-4-10-24(12-11-23)16-8-7-15-13-17(21(25)27-19(15)14-16)18-5-3-6-20(22-18)26-2;1-3-23-9-11-24(12-10-23)16-8-7-15-13-17(21(25)27-19(15)14-16)18-5-4-6-20(22-18)26-2;1-13-12-23(9-8-21-13)15-7-6-14-10-16(20(24)26-18(14)11-15)17-4-3-5-19(22-17)25-2/h4-8,13-15H,3,9-12H2,1-2H3;1,3-5,8,11-13,23H,2,6-7,9-10H2;3,5-8,13-14H,4,9-12H2,1-2H3;4-8,13-14H,3,9-12H2,1-2H3;3-7,10-11,13,21H,8-9,12H2,1-2H3/t;;;;13-/m....1/s1
• InChIKey: IXFQCZNKLLBXTR-RAFXKVLKSA-N
• XLogP: 15.14
• TPSA: 301.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1849.15
LogP ≤ 5	15.14
H-Bond Donors ≤ 5	2
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-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methoxy-2-pyridinyl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one?

The IUPAC name of 7-(1,4-diazepan-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methoxy-2-pyridinyl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one (CID 158832572) is 7-(1,4-diazepan-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methoxy-2-pyridinyl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one.

What is the SMILES notation for 7-(1,4-diazepan-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methoxy-2-pyridinyl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one?

The canonical SMILES for 7-(1,4-diazepan-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methoxy-2-pyridinyl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one is CCN1CCN(c2ccc3cc(-c4cccc(OC)n4)c(=O)oc3c2)CC1.CCc1cccn2cc(-c3cc4ccc(N5CCN(C)CC5)cc4oc3=O)nc12.COc1cccc(-c2cc3ccc(N4CCCN(C)CC4)cc3oc2=O)n1.COc1cccc(-c2cc3ccc(N4CCN[C@H](C)C4)cc3oc2=O)n1.O=c1oc2cc(N3CCCNCC3)ccc2cc1-c1cn2cccc(F)c2n1.

What is the InChIKey of 7-(1,4-diazepan-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methoxy-2-pyridinyl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one?

The InChIKey is IXFQCZNKLLBXTR-RAFXKVLKSA-N. The full InChI is InChI=1S/C23H24N4O2.C21H19FN4O2.2C21H23N3O3.C20H21N3O3/c1-3-16-5-4-8-27-15-20(24-22(16)27)19-13-17-6-7-18(14-21(17)29-23(19)28)26-11-9-25(2)10-12-26;22-17-3-1-8-26-13-18(24-20(17)26)16-11-14-4-5-15(12-19(14)28-21(16)27)25-9-2-6-23-7-10-25;1-23-9-4-10-24(12-11-23)16-8-7-15-13-17(21(25)27-19(15)14-16)18-5-3-6-20(22-18)26-2;1-3-23-9-11-24(12-10-23)16-8-7-15-13-17(21(25)27-19(15)14-16)18-5-4-6-20(22-18)26-2;1-13-12-23(9-8-21-13)15-7-6-14-10-16(20(24)26-18(14)11-15)17-4-3-5-19(22-17)25-2/h4-8,13-15H,3,9-12H2,1-2H3;1,3-5,8,11-13,23H,2,6-7,9-10H2;3,5-8,13-14H,4,9-12H2,1-2H3;4-8,13-14H,3,9-12H2,1-2H3;3-7,10-11,13,21H,8-9,12H2,1-2H3/t;;;;13-/m....1/s1.

What are the key properties of 7-(1,4-diazepan-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methoxy-2-pyridinyl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one?

7-(1,4-diazepan-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methoxy-2-pyridinyl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one has a molecular weight of 1849.15 g/mol, XLogP of 15.14, 15 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1,4-diazepan-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methoxy-2-pyridinyl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one is sourced from PubChem (CID 158832572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).