7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-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-[4-(2-hydroxyethyl)piperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one

C115H121N23O11 — CID 158980256

About 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-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-[4-(2-hydroxyethyl)piperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one

7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-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-[4-(2-hydroxyethyl)piperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one (PubChem CID 158980256) has the molecular formula C115H121N23O11 and a molecular weight of 2001.38 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-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-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-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one
• PubChem CID: 158980256
• Molecular Formula: C115H121N23O11
• Molecular Weight: 2001.38 g/mol
• Exact Mass: 1999.96
• IUPAC Name: 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-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-[4-(2-hydroxyethyl)piperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one
• SMILES: Cc1cn2cc(-c3cc4ccc(N(C)[C@H]5CCN(C)C5)cc4oc3=O)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5CCCN(C)CC5)cc4oc3=O)ccc2n1.Cc1cn2cc(-c3cc4ccc(N5CCN(CCO)CC5)cc4oc3=O)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5CCN[C@H](C)C5)cc4oc3=O)ccc2n1.Cc1cn2cc(-c3cc4ccc(N5C[C@H]6CCCN[C@H]6C5)cc4oc3=O)nc2c(C)n1
• InChI: InChI=1S/C24H25N5O2.C23H25N5O3.C23H25N5O2.C23H24N4O2.C22H22N4O2/c1-14-10-29-13-21(27-23(29)15(2)26-14)19-8-16-5-6-18(9-22(16)31-24(19)30)28-11-17-4-3-7-25-20(17)12-28;1-15-13-28-14-20(25-22(28)16(2)24-15)19-11-17-3-4-18(12-21(17)31-23(19)30)27-7-5-26(6-8-27)9-10-29;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;1-16-14-27-15-18(5-7-22(27)24-16)20-12-17-4-6-19(13-21(17)29-23(20)28)26-9-3-8-25(2)10-11-26;1-14-11-25(8-7-23-14)18-5-3-16-9-19(22(27)28-20(16)10-18)17-4-6-21-24-15(2)12-26(21)13-17/h5-6,8-10,13,17,20,25H,3-4,7,11-12H2,1-2H3;3-4,11-14,29H,5-10H2,1-2H3;5-6,9-11,13,18H,7-8,12H2,1-4H3;4-7,12-15H,3,8-11H2,1-2H3;3-6,9-10,12-14,23H,7-8,11H2,1-2H3/t17-,20+;;18-;;14-/m1.0.1/s1
• InChIKey: JOXFCQLKXFBPQH-MBSYZTNGSA-N
• XLogP: 15.57
• TPSA: 346.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 34
• Rotatable Bonds: 13
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2001.38
LogP ≤ 5	15.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	34

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-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-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-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one (CID 158980256) is 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-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-[4-(2-hydroxyethyl)piperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-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-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-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-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one is Cc1cn2cc(-c3cc4ccc(N(C)[C@H]5CCN(C)C5)cc4oc3=O)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5CCCN(C)CC5)cc4oc3=O)ccc2n1.Cc1cn2cc(-c3cc4ccc(N5CCN(CCO)CC5)cc4oc3=O)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5CCN[C@H](C)C5)cc4oc3=O)ccc2n1.Cc1cn2cc(-c3cc4ccc(N5C[C@H]6CCCN[C@H]6C5)cc4oc3=O)nc2c(C)n1.

What is the InChIKey of 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one?

The InChIKey is JOXFCQLKXFBPQH-MBSYZTNGSA-N. The full InChI is InChI=1S/C24H25N5O2.C23H25N5O3.C23H25N5O2.C23H24N4O2.C22H22N4O2/c1-14-10-29-13-21(27-23(29)15(2)26-14)19-8-16-5-6-18(9-22(16)31-24(19)30)28-11-17-4-3-7-25-20(17)12-28;1-15-13-28-14-20(25-22(28)16(2)24-15)19-11-17-3-4-18(12-21(17)31-23(19)30)27-7-5-26(6-8-27)9-10-29;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;1-16-14-27-15-18(5-7-22(27)24-16)20-12-17-4-6-19(13-21(17)29-23(20)28)26-9-3-8-25(2)10-11-26;1-14-11-25(8-7-23-14)18-5-3-16-9-19(22(27)28-20(16)10-18)17-4-6-21-24-15(2)12-26(21)13-17/h5-6,8-10,13,17,20,25H,3-4,7,11-12H2,1-2H3;3-4,11-14,29H,5-10H2,1-2H3;5-6,9-11,13,18H,7-8,12H2,1-4H3;4-7,12-15H,3,8-11H2,1-2H3;3-6,9-10,12-14,23H,7-8,11H2,1-2H3/t17-,20+;;18-;;14-/m1.0.1/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-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one?

7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-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-[4-(2-hydroxyethyl)piperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one has a molecular weight of 2001.38 g/mol, XLogP of 15.57, 13 rotatable bonds, 3 hydrogen bond donors, and 34 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-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;3-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one is sourced from PubChem (CID 158980256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).