7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one

C111H103F5N20O10 — CID 157309419

About 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one

7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one (PubChem CID 157309419) has the molecular formula C111H103F5N20O10 and a molecular weight of 1972.16 g/mol. Its IUPAC name is 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one.

Molecular Properties

• Compound Name: 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one
• PubChem CID: 157309419
• Molecular Formula: C111H103F5N20O10
• Molecular Weight: 1972.16 g/mol
• Exact Mass: 1970.81
• IUPAC Name: 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one
• SMILES: Cc1cn2cc(-c3cc4ccc(N5CC6(CNC6)C5)cc4oc3=O)cc(F)c2n1.Cc1cn2cc(-c3cc4ccc(N5CCN(C)CC5)cc4oc3=O)cc(F)c2n1.Cc1cn2cc(-c3cc4ccc(N5CCN6CCC[C@H]6C5)cc4oc3=O)cc(F)c2n1.Cc1cn2cc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)cc(F)c2n1.Cc1cn2cc(-c3cc4ccc(N5CCN[C@@H](C)C5)cc4oc3=O)cc(F)c2n1
• InChI: InChI=1S/C24H23FN4O2.C22H19FN4O2.2C22H21FN4O2.C21H19FN4O2/c1-15-12-29-13-17(10-21(25)23(29)26-15)20-9-16-4-5-18(11-22(16)31-24(20)30)28-8-7-27-6-2-3-19(27)14-28;1-13-7-26-8-15(5-18(23)20(26)25-13)17-4-14-2-3-16(6-19(14)29-21(17)28)27-11-22(12-27)9-24-10-22;1-14-12-27-13-16(10-19(23)21(27)24-14)18-9-15-3-4-17(11-20(15)29-22(18)28)26-7-5-25(2)6-8-26;1-13-10-26(6-5-24-13)17-4-3-15-7-18(22(28)29-20(15)9-17)16-8-19(23)21-25-14(2)11-27(21)12-16;1-13-11-26-12-15(9-18(22)20(26)24-13)17-8-14-2-3-16(10-19(14)28-21(17)27)25-6-4-23-5-7-25/h4-5,9-13,19H,2-3,6-8,14H2,1H3;2-8,24H,9-12H2,1H3;3-4,9-13H,5-8H2,1-2H3;3-4,7-9,11-13,24H,5-6,10H2,1-2H3;2-3,8-12,23H,4-7H2,1H3/t19-;;;13-;/m0..0./s1
• InChIKey: BCWBMUMDPOPILF-CIAZZLTKSA-N
• XLogP: 16.43
• TPSA: 296.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1972.16
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	3
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-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one?

The IUPAC name of 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one (CID 157309419) is 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one.

What is the SMILES notation for 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one?

The canonical SMILES for 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one is Cc1cn2cc(-c3cc4ccc(N5CC6(CNC6)C5)cc4oc3=O)cc(F)c2n1.Cc1cn2cc(-c3cc4ccc(N5CCN(C)CC5)cc4oc3=O)cc(F)c2n1.Cc1cn2cc(-c3cc4ccc(N5CCN6CCC[C@H]6C5)cc4oc3=O)cc(F)c2n1.Cc1cn2cc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)cc(F)c2n1.Cc1cn2cc(-c3cc4ccc(N5CCN[C@@H](C)C5)cc4oc3=O)cc(F)c2n1.

What is the InChIKey of 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one?

The InChIKey is BCWBMUMDPOPILF-CIAZZLTKSA-N. The full InChI is InChI=1S/C24H23FN4O2.C22H19FN4O2.2C22H21FN4O2.C21H19FN4O2/c1-15-12-29-13-17(10-21(25)23(29)26-15)20-9-16-4-5-18(11-22(16)31-24(20)30)28-8-7-27-6-2-3-19(27)14-28;1-13-7-26-8-15(5-18(23)20(26)25-13)17-4-14-2-3-16(6-19(14)29-21(17)28)27-11-22(12-27)9-24-10-22;1-14-12-27-13-16(10-19(23)21(27)24-14)18-9-15-3-4-17(11-20(15)29-22(18)28)26-7-5-25(2)6-8-26;1-13-10-26(6-5-24-13)17-4-3-15-7-18(22(28)29-20(15)9-17)16-8-19(23)21-25-14(2)11-27(21)12-16;1-13-11-26-12-15(9-18(22)20(26)24-13)17-8-14-2-3-16(10-19(14)28-21(17)27)25-6-4-23-5-7-25/h4-5,9-13,19H,2-3,6-8,14H2,1H3;2-8,24H,9-12H2,1H3;3-4,9-13H,5-8H2,1-2H3;3-4,7-9,11-13,24H,5-6,10H2,1-2H3;2-3,8-12,23H,4-7H2,1H3/t19-;;;13-;/m0..0./s1.

What are the key properties of 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one?

7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one has a molecular weight of 1972.16 g/mol, XLogP of 16.43, 10 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one is sourced from PubChem (CID 157309419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).