7-(1,4-diazepan-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;5-fluoro-3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;5-fluoro-3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one

C111H108F4N20O10 — CID 157254802

About 7-(1,4-diazepan-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;5-fluoro-3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;5-fluoro-3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one

7-(1,4-diazepan-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;5-fluoro-3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;5-fluoro-3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one (PubChem CID 157254802) has the molecular formula C111H108F4N20O10 and a molecular weight of 1958.21 g/mol. Its IUPAC name is 7-(1,4-diazepan-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;5-fluoro-3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;5-fluoro-3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one.

Molecular Properties

• Compound Name: 7-(1,4-diazepan-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;5-fluoro-3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;5-fluoro-3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one
• PubChem CID: 157254802
• Molecular Formula: C111H108F4N20O10
• Molecular Weight: 1958.21 g/mol
• Exact Mass: 1956.85
• IUPAC Name: 7-(1,4-diazepan-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;5-fluoro-3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;5-fluoro-3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one
• SMILES: Cc1cc(C)c2nc(-c3cc4ccc(N5CCN[C@@H](C)C5)cc4oc3=O)cn2c1.Cc1cc(F)c2nc(-c3cc4ccc(N5CCCNCC5)cc4oc3=O)cn2c1.Cc1cc(F)c2nc(-c3cc4ccc(N5CCNC(C)(C)C5)cc4oc3=O)cn2c1.Cc1cccn2cc(-c3cc4c(F)cc(N5CCN(C)CC5)cc4oc3=O)nc12.Cc1ccn2cc(-c3cc4c(F)cc(N5CCNCC5)cc4oc3=O)nc2c1
• InChI: InChI=1S/C23H23FN4O2.C23H24N4O2.2C22H21FN4O2.C21H19FN4O2/c1-14-8-18(24)21-26-19(12-28(21)11-14)17-9-15-4-5-16(10-20(15)30-22(17)29)27-7-6-25-23(2,3)13-27;1-14-8-15(2)22-25-20(13-27(22)11-14)19-9-17-4-5-18(10-21(17)29-23(19)28)26-7-6-24-16(3)12-26;1-14-4-3-5-27-13-19(24-21(14)27)17-12-16-18(23)10-15(11-20(16)29-22(17)28)26-8-6-25(2)7-9-26;1-14-9-18(23)21-25-19(13-27(21)12-14)17-10-15-3-4-16(11-20(15)29-22(17)28)26-7-2-5-24-6-8-26;1-13-2-5-26-12-18(24-20(26)8-13)16-11-15-17(22)9-14(10-19(15)28-21(16)27)25-6-3-23-4-7-25/h4-5,8-12,25H,6-7,13H2,1-3H3;4-5,8-11,13,16,24H,6-7,12H2,1-3H3;3-5,10-13H,6-9H2,1-2H3;3-4,9-13,24H,2,5-8H2,1H3;2,5,8-12,23H,3-4,6-7H2,1H3/t;16-;;;/m.0.../s1
• InChIKey: AWTMCOLKRHHBJQ-GYJLBGKZSA-N
• XLogP: 16.89
• TPSA: 305.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1958.21
LogP ≤ 5	16.89
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-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;5-fluoro-3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;5-fluoro-3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one?

The IUPAC name of 7-(1,4-diazepan-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;5-fluoro-3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;5-fluoro-3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one (CID 157254802) is 7-(1,4-diazepan-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;5-fluoro-3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;5-fluoro-3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one.

What is the SMILES notation for 7-(1,4-diazepan-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;5-fluoro-3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;5-fluoro-3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one?

The canonical SMILES for 7-(1,4-diazepan-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;5-fluoro-3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;5-fluoro-3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one is Cc1cc(C)c2nc(-c3cc4ccc(N5CCN[C@@H](C)C5)cc4oc3=O)cn2c1.Cc1cc(F)c2nc(-c3cc4ccc(N5CCCNCC5)cc4oc3=O)cn2c1.Cc1cc(F)c2nc(-c3cc4ccc(N5CCNC(C)(C)C5)cc4oc3=O)cn2c1.Cc1cccn2cc(-c3cc4c(F)cc(N5CCN(C)CC5)cc4oc3=O)nc12.Cc1ccn2cc(-c3cc4c(F)cc(N5CCNCC5)cc4oc3=O)nc2c1.

What is the InChIKey of 7-(1,4-diazepan-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;5-fluoro-3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;5-fluoro-3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one?

The InChIKey is AWTMCOLKRHHBJQ-GYJLBGKZSA-N. The full InChI is InChI=1S/C23H23FN4O2.C23H24N4O2.2C22H21FN4O2.C21H19FN4O2/c1-14-8-18(24)21-26-19(12-28(21)11-14)17-9-15-4-5-16(10-20(15)30-22(17)29)27-7-6-25-23(2,3)13-27;1-14-8-15(2)22-25-20(13-27(22)11-14)19-9-17-4-5-18(10-21(17)29-23(19)28)26-7-6-24-16(3)12-26;1-14-4-3-5-27-13-19(24-21(14)27)17-12-16-18(23)10-15(11-20(16)29-22(17)28)26-8-6-25(2)7-9-26;1-14-9-18(23)21-25-19(13-27(21)12-14)17-10-15-3-4-16(11-20(15)29-22(17)28)26-7-2-5-24-6-8-26;1-13-2-5-26-12-18(24-20(26)8-13)16-11-15-17(22)9-14(10-19(15)28-21(16)27)25-6-3-23-4-7-25/h4-5,8-12,25H,6-7,13H2,1-3H3;4-5,8-11,13,16,24H,6-7,12H2,1-3H3;3-5,10-13H,6-9H2,1-2H3;3-4,9-13,24H,2,5-8H2,1H3;2,5,8-12,23H,3-4,6-7H2,1H3/t;16-;;;/m.0.../s1.

What are the key properties of 7-(1,4-diazepan-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;5-fluoro-3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;5-fluoro-3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one?

7-(1,4-diazepan-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;5-fluoro-3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;5-fluoro-3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one has a molecular weight of 1958.21 g/mol, XLogP of 16.89, 10 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-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;5-fluoro-3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;5-fluoro-3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one is sourced from PubChem (CID 157254802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).