7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one

C94H92N14O11 — CID 157308741

About 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one

7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one (PubChem CID 157308741) has the molecular formula C94H92N14O11 and a molecular weight of 1593.86 g/mol. Its IUPAC name is 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one.

Molecular Properties

• Compound Name: 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one
• PubChem CID: 157308741
• Molecular Formula: C94H92N14O11
• Molecular Weight: 1593.86 g/mol
• Exact Mass: 1592.71
• IUPAC Name: 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one
• SMILES: Cc1ccc2oc(-c3cc4ccc(N5CCN6CCC[C@@H]6C5)cc4oc3=O)cc2n1.Cc1ccc2oc(-c3cc4ccc(N5CCN6CCC[C@H]6C5)cc4oc3=O)cc2n1.Cc1ccc2oc(-c3cc4ccc(N5C[C@@H](C)N[C@@H](C)C5)cc4oc3=O)cc2n1.Cc1cn2cc(-c3cc4ccc(N5C[C@H]6CCCN[C@H]6C5)cc4oc3=O)nc2cn1
• InChI: InChI=1S/2C24H23N3O3.C23H23N5O2.C23H23N3O3/c2*1-15-4-7-21-20(25-15)13-23(29-21)19-11-16-5-6-17(12-22(16)30-24(19)28)27-10-9-26-8-2-3-18(26)14-27;1-14-10-28-13-20(26-22(28)9-25-14)18-7-15-4-5-17(8-21(15)30-23(18)29)27-11-16-3-2-6-24-19(16)12-27;1-13-4-7-20-19(25-13)10-22(28-20)18-8-16-5-6-17(9-21(16)29-23(18)27)26-11-14(2)24-15(3)12-26/h2*4-7,11-13,18H,2-3,8-10,14H2,1H3;4-5,7-10,13,16,19,24H,2-3,6,11-12H2,1H3;4-10,14-15,24H,11-12H2,1-3H3/t2*18-;16-,19+;14-,15+/m101./s1
• InChIKey: BCUGJBISGBUKJT-AXTDYZDRSA-N
• XLogP: 15.48
• TPSA: 272.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 8
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1593.86
LogP ≤ 5	15.48
H-Bond Donors ≤ 5	2
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-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one?

The IUPAC name of 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one (CID 157308741) is 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one.

What is the SMILES notation for 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one?

The canonical SMILES for 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one is Cc1ccc2oc(-c3cc4ccc(N5CCN6CCC[C@@H]6C5)cc4oc3=O)cc2n1.Cc1ccc2oc(-c3cc4ccc(N5CCN6CCC[C@H]6C5)cc4oc3=O)cc2n1.Cc1ccc2oc(-c3cc4ccc(N5C[C@@H](C)N[C@@H](C)C5)cc4oc3=O)cc2n1.Cc1cn2cc(-c3cc4ccc(N5C[C@H]6CCCN[C@H]6C5)cc4oc3=O)nc2cn1.

What is the InChIKey of 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one?

The InChIKey is BCUGJBISGBUKJT-AXTDYZDRSA-N. The full InChI is InChI=1S/2C24H23N3O3.C23H23N5O2.C23H23N3O3/c2*1-15-4-7-21-20(25-15)13-23(29-21)19-11-16-5-6-17(12-22(16)30-24(19)28)27-10-9-26-8-2-3-18(26)14-27;1-14-10-28-13-20(26-22(28)9-25-14)18-7-15-4-5-17(8-21(15)30-23(18)29)27-11-16-3-2-6-24-19(16)12-27;1-13-4-7-20-19(25-13)10-22(28-20)18-8-16-5-6-17(9-21(16)29-23(18)27)26-11-14(2)24-15(3)12-26/h2*4-7,11-13,18H,2-3,8-10,14H2,1H3;4-5,7-10,13,16,19,24H,2-3,6,11-12H2,1H3;4-10,14-15,24H,11-12H2,1-3H3/t2*18-;16-,19+;14-,15+/m101./s1.

What are the key properties of 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one?

7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one has a molecular weight of 1593.86 g/mol, XLogP of 15.48, 8 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one is sourced from PubChem (CID 157308741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).