7-[(3aS,6aS)-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;3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one

C97H102ClN17O8 — CID 157326186

About 7-[(3aS,6aS)-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;3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one

7-[(3aS,6aS)-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;3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one (PubChem CID 157326186) has the molecular formula C97H102ClN17O8 and a molecular weight of 1669.45 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-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-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-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one
• PubChem CID: 157326186
• Molecular Formula: C97H102ClN17O8
• Molecular Weight: 1669.45 g/mol
• Exact Mass: 1667.78
• IUPAC Name: 7-[(3aS,6aS)-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;3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one
• SMILES: Cc1cn2cc(-c3cc4ccc(N5C[C@@H]6CCN(C)[C@@H]6C5)cc4oc3=O)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(NC5C[C@H]6CCC[C@@H](C5)N6C)cc4oc3=O)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N[C@@H]5CCN(C)C5)cc4oc3=O)cc2c(C)n1.Cc1nc(Cl)cn2cc(-c3cc4ccc(N5CCN(C)[C@@H](C)C5)cc4oc3=O)nc12
• InChI: InChI=1S/C27H30N4O2.C25H26N4O2.C23H24N4O2.C22H22ClN5O2/c1-16-14-31-15-19(10-25(31)17(2)28-16)24-9-18-7-8-20(13-26(18)33-27(24)32)29-21-11-22-5-4-6-23(12-21)30(22)3;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;1-14-11-27-12-17(9-21(27)15(2)24-14)20-8-16-4-5-18(10-22(16)29-23(20)28)25-19-6-7-26(3)13-19;1-13-10-27(7-6-26(13)3)16-5-4-15-8-17(22(29)30-19(15)9-16)18-11-28-12-20(23)24-14(2)21(28)25-18/h7-10,13-15,21-23,29H,4-6,11-12H2,1-3H3;4-5,8-11,13,18,23H,6-7,12,14H2,1-3H3;4-5,8-12,19,25H,6-7,13H2,1-3H3;4-5,8-9,11-13H,6-7,10H2,1-3H3/t21?,22-,23+;18-,23+;19-;13-/m.010/s1
• InChIKey: BETBPLQPWYWLJK-URMFQPJOSA-N
• XLogP: 16.46
• TPSA: 246.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 10
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1669.45
LogP ≤ 5	16.46
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-[(3aS,6aS)-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;3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-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-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one (CID 157326186) is 7-[(3aS,6aS)-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;3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-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-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-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-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one is Cc1cn2cc(-c3cc4ccc(N5C[C@@H]6CCN(C)[C@@H]6C5)cc4oc3=O)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(NC5C[C@H]6CCC[C@@H](C5)N6C)cc4oc3=O)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N[C@@H]5CCN(C)C5)cc4oc3=O)cc2c(C)n1.Cc1nc(Cl)cn2cc(-c3cc4ccc(N5CCN(C)[C@@H](C)C5)cc4oc3=O)nc12.

What is the InChIKey of 7-[(3aS,6aS)-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;3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one?

The InChIKey is BETBPLQPWYWLJK-URMFQPJOSA-N. The full InChI is InChI=1S/C27H30N4O2.C25H26N4O2.C23H24N4O2.C22H22ClN5O2/c1-16-14-31-15-19(10-25(31)17(2)28-16)24-9-18-7-8-20(13-26(18)33-27(24)32)29-21-11-22-5-4-6-23(12-21)30(22)3;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;1-14-11-27-12-17(9-21(27)15(2)24-14)20-8-16-4-5-18(10-22(16)29-23(20)28)25-19-6-7-26(3)13-19;1-13-10-27(7-6-26(13)3)16-5-4-15-8-17(22(29)30-19(15)9-16)18-11-28-12-20(23)24-14(2)21(28)25-18/h7-10,13-15,21-23,29H,4-6,11-12H2,1-3H3;4-5,8-11,13,18,23H,6-7,12,14H2,1-3H3;4-5,8-12,19,25H,6-7,13H2,1-3H3;4-5,8-9,11-13H,6-7,10H2,1-3H3/t21?,22-,23+;18-,23+;19-;13-/m.010/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-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one?

7-[(3aS,6aS)-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;3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one has a molecular weight of 1669.45 g/mol, XLogP of 16.46, 10 rotatable bonds, 2 hydrogen bond donors, and 25 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-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]chromen-2-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[[(3R)-1-methylpyrrolidin-3-yl]amino]chromen-2-one is sourced from PubChem (CID 157326186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).