7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;7-[(3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(3-morpholin-4-ylpyrrolidin-1-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-yl-1,4-diazepan-1-yl)chromen-2-one

C102H110N16O9 — CID 158353201

About 7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;7-[(3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(3-morpholin-4-ylpyrrolidin-1-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-yl-1,4-diazepan-1-yl)chromen-2-one

7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;7-[(3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(3-morpholin-4-ylpyrrolidin-1-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-yl-1,4-diazepan-1-yl)chromen-2-one (PubChem CID 158353201) has the molecular formula C102H110N16O9 and a molecular weight of 1704.10 g/mol. Its IUPAC name is 7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;7-[(3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(3-morpholin-4-ylpyrrolidin-1-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-yl-1,4-diazepan-1-yl)chromen-2-one.

Molecular Properties

• Compound Name: 7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;7-[(3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(3-morpholin-4-ylpyrrolidin-1-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-yl-1,4-diazepan-1-yl)chromen-2-one
• PubChem CID: 158353201
• Molecular Formula: C102H110N16O9
• Molecular Weight: 1704.10 g/mol
• Exact Mass: 1702.86
• IUPAC Name: 7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;7-[(3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(3-morpholin-4-ylpyrrolidin-1-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-yl-1,4-diazepan-1-yl)chromen-2-one
• SMILES: Cc1cn2cc(-c3cc4ccc(N5CCC(N6CCOCC6)C5)cc4oc3=O)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5CCCN(C(C)C)CC5)cc4oc3=O)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5C[C@H]6CC(C)N[C@H]6C5)cc4oc3=O)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5C[C@H]6CCN(C)[C@H]6C5)cc4oc3=O)cc2c(C)n1
• InChI: InChI=1S/C26H28N4O3.C26H30N4O2.2C25H26N4O2/c1-17-14-30-15-20(12-24(30)18(2)27-17)23-11-19-3-4-21(13-25(19)33-26(23)31)29-6-5-22(16-29)28-7-9-32-10-8-28;1-17(2)28-8-5-9-29(11-10-28)22-7-6-20-12-23(26(31)32-25(20)14-22)21-13-24-19(4)27-18(3)15-30(24)16-21;1-14-6-19-12-28(13-22(19)27-14)20-5-4-17-7-21(25(30)31-24(17)9-20)18-8-23-16(3)26-15(2)10-29(23)11-18;1-15-11-29-13-19(9-22(29)16(2)26-15)21-8-17-4-5-20(10-24(17)31-25(21)30)28-12-18-6-7-27(3)23(18)14-28/h3-4,11-15,22H,5-10,16H2,1-2H3;6-7,12-17H,5,8-11H2,1-4H3;4-5,7-11,14,19,22,27H,6,12-13H2,1-3H3;4-5,8-11,13,18,23H,6-7,12,14H2,1-3H3/t;;14?,19-,22+;18-,23+/m..11/s1
• InChIKey: GSOKQBLYVIQCCI-RJKWXPGUSA-N
• XLogP: 16.06
• TPSA: 233.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 10
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1704.10
LogP ≤ 5	16.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;7-[(3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(3-morpholin-4-ylpyrrolidin-1-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-yl-1,4-diazepan-1-yl)chromen-2-one?

The IUPAC name of 7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;7-[(3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(3-morpholin-4-ylpyrrolidin-1-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-yl-1,4-diazepan-1-yl)chromen-2-one (CID 158353201) is 7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;7-[(3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(3-morpholin-4-ylpyrrolidin-1-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-yl-1,4-diazepan-1-yl)chromen-2-one.

What is the SMILES notation for 7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;7-[(3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(3-morpholin-4-ylpyrrolidin-1-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-yl-1,4-diazepan-1-yl)chromen-2-one?

The canonical SMILES for 7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;7-[(3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(3-morpholin-4-ylpyrrolidin-1-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-yl-1,4-diazepan-1-yl)chromen-2-one is Cc1cn2cc(-c3cc4ccc(N5CCC(N6CCOCC6)C5)cc4oc3=O)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5CCCN(C(C)C)CC5)cc4oc3=O)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5C[C@H]6CC(C)N[C@H]6C5)cc4oc3=O)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5C[C@H]6CCN(C)[C@H]6C5)cc4oc3=O)cc2c(C)n1.

What is the InChIKey of 7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;7-[(3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(3-morpholin-4-ylpyrrolidin-1-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-yl-1,4-diazepan-1-yl)chromen-2-one?

The InChIKey is GSOKQBLYVIQCCI-RJKWXPGUSA-N. The full InChI is InChI=1S/C26H28N4O3.C26H30N4O2.2C25H26N4O2/c1-17-14-30-15-20(12-24(30)18(2)27-17)23-11-19-3-4-21(13-25(19)33-26(23)31)29-6-5-22(16-29)28-7-9-32-10-8-28;1-17(2)28-8-5-9-29(11-10-28)22-7-6-20-12-23(26(31)32-25(20)14-22)21-13-24-19(4)27-18(3)15-30(24)16-21;1-14-6-19-12-28(13-22(19)27-14)20-5-4-17-7-21(25(30)31-24(17)9-20)18-8-23-16(3)26-15(2)10-29(23)11-18;1-15-11-29-13-19(9-22(29)16(2)26-15)21-8-17-4-5-20(10-24(17)31-25(21)30)28-12-18-6-7-27(3)23(18)14-28/h3-4,11-15,22H,5-10,16H2,1-2H3;6-7,12-17H,5,8-11H2,1-4H3;4-5,7-11,14,19,22,27H,6,12-13H2,1-3H3;4-5,8-11,13,18,23H,6-7,12,14H2,1-3H3/t;;14?,19-,22+;18-,23+/m..11/s1.

What are the key properties of 7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;7-[(3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(3-morpholin-4-ylpyrrolidin-1-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-yl-1,4-diazepan-1-yl)chromen-2-one?

7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;7-[(3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(3-morpholin-4-ylpyrrolidin-1-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-yl-1,4-diazepan-1-yl)chromen-2-one has a molecular weight of 1704.10 g/mol, XLogP of 16.06, 10 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;7-[(3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(3-morpholin-4-ylpyrrolidin-1-yl)chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-yl-1,4-diazepan-1-yl)chromen-2-one is sourced from PubChem (CID 158353201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).