7-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;3-(2,4-dimethylthieno[2,3-d]pyrimidin-6-yl)-7-piperazin-1-ylchromen-2-one

C92H95N19O8S — CID 159862693

About 7-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;3-(2,4-dimethylthieno[2,3-d]pyrimidin-6-yl)-7-piperazin-1-ylchromen-2-one

7-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;3-(2,4-dimethylthieno[2,3-d]pyrimidin-6-yl)-7-piperazin-1-ylchromen-2-one (PubChem CID 159862693) has the molecular formula C92H95N19O8S and a molecular weight of 1626.96 g/mol. Its IUPAC name is 7-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;3-(2,4-dimethylthieno[2,3-d]pyrimidin-6-yl)-7-piperazin-1-ylchromen-2-one.

Molecular Properties

• Compound Name: 7-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;3-(2,4-dimethylthieno[2,3-d]pyrimidin-6-yl)-7-piperazin-1-ylchromen-2-one
• PubChem CID: 159862693
• Molecular Formula: C92H95N19O8S
• Molecular Weight: 1626.96 g/mol
• Exact Mass: 1625.73
• IUPAC Name: 7-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;3-(2,4-dimethylthieno[2,3-d]pyrimidin-6-yl)-7-piperazin-1-ylchromen-2-one
• SMILES: Cc1cn2cc(-c3cc4ccc(N(C)[C@@H]5CCN(C)C5)cc4oc3=O)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5C[C@@H]6CCN(C)[C@@H]6C5)cc4oc3=O)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5C[C@H]6CCN(C)[C@H]6C5)cc4oc3=O)nc2c(C)n1.Cc1nc(C)c2cc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)sc2n1
• InChI: InChI=1S/2C24H25N5O2.C23H25N5O2.C21H20N4O2S/c2*1-14-10-29-12-20(26-23(29)15(2)25-14)19-8-16-4-5-18(9-22(16)31-24(19)30)28-11-17-6-7-27(3)21(17)13-28;1-14-11-28-13-20(25-22(28)15(2)24-14)19-9-16-5-6-17(10-21(16)30-23(19)29)27(4)18-7-8-26(3)12-18;1-12-16-11-19(28-20(16)24-13(2)23-12)17-9-14-3-4-15(10-18(14)27-21(17)26)25-7-5-22-6-8-25/h2*4-5,8-10,12,17,21H,6-7,11,13H2,1-3H3;5-6,9-11,13,18H,7-8,12H2,1-4H3;3-4,9-11,22H,5-8H2,1-2H3/t2*17-,21+;18-;/m101./s1
• InChIKey: NRIRHESLWMEEQS-XKKWKGBGSA-N
• XLogP: 13.27
• TPSA: 271.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 9
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1626.96
LogP ≤ 5	13.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;3-(2,4-dimethylthieno[2,3-d]pyrimidin-6-yl)-7-piperazin-1-ylchromen-2-one?

The IUPAC name of 7-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;3-(2,4-dimethylthieno[2,3-d]pyrimidin-6-yl)-7-piperazin-1-ylchromen-2-one (CID 159862693) is 7-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;3-(2,4-dimethylthieno[2,3-d]pyrimidin-6-yl)-7-piperazin-1-ylchromen-2-one.

What is the SMILES notation for 7-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;3-(2,4-dimethylthieno[2,3-d]pyrimidin-6-yl)-7-piperazin-1-ylchromen-2-one?

The canonical SMILES for 7-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;3-(2,4-dimethylthieno[2,3-d]pyrimidin-6-yl)-7-piperazin-1-ylchromen-2-one is Cc1cn2cc(-c3cc4ccc(N(C)[C@@H]5CCN(C)C5)cc4oc3=O)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5C[C@@H]6CCN(C)[C@@H]6C5)cc4oc3=O)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5C[C@H]6CCN(C)[C@H]6C5)cc4oc3=O)nc2c(C)n1.Cc1nc(C)c2cc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)sc2n1.

What is the InChIKey of 7-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;3-(2,4-dimethylthieno[2,3-d]pyrimidin-6-yl)-7-piperazin-1-ylchromen-2-one?

The InChIKey is NRIRHESLWMEEQS-XKKWKGBGSA-N. The full InChI is InChI=1S/2C24H25N5O2.C23H25N5O2.C21H20N4O2S/c2*1-14-10-29-12-20(26-23(29)15(2)25-14)19-8-16-4-5-18(9-22(16)31-24(19)30)28-11-17-6-7-27(3)21(17)13-28;1-14-11-28-13-20(25-22(28)15(2)24-14)19-9-16-5-6-17(10-21(16)30-23(19)29)27(4)18-7-8-26(3)12-18;1-12-16-11-19(28-20(16)24-13(2)23-12)17-9-14-3-4-15(10-18(14)27-21(17)26)25-7-5-22-6-8-25/h2*4-5,8-10,12,17,21H,6-7,11,13H2,1-3H3;5-6,9-11,13,18H,7-8,12H2,1-4H3;3-4,9-11,22H,5-8H2,1-2H3/t2*17-,21+;18-;/m101./s1.

What are the key properties of 7-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;3-(2,4-dimethylthieno[2,3-d]pyrimidin-6-yl)-7-piperazin-1-ylchromen-2-one?

7-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;3-(2,4-dimethylthieno[2,3-d]pyrimidin-6-yl)-7-piperazin-1-ylchromen-2-one has a molecular weight of 1626.96 g/mol, XLogP of 13.27, 9 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;3-(2,4-dimethylthieno[2,3-d]pyrimidin-6-yl)-7-piperazin-1-ylchromen-2-one is sourced from PubChem (CID 159862693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).