7-[(4aR,7aR)-1-ethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(4aR,7aR)-1-(2-hydroxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[4-(aminomethyl)piperidin-1-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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]chromen-2-one;7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one

C121H126ClN23O11 — CID 157342554

About 7-[(4aR,7aR)-1-ethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(4aR,7aR)-1-(2-hydroxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[4-(aminomethyl)piperidin-1-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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]chromen-2-one;7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one

7-[(4aR,7aR)-1-ethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(4aR,7aR)-1-(2-hydroxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[4-(aminomethyl)piperidin-1-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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]chromen-2-one;7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one (PubChem CID 157342554) has the molecular formula C121H126ClN23O11 and a molecular weight of 2113.94 g/mol. Its IUPAC name is 7-[(4aR,7aR)-1-ethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(4aR,7aR)-1-(2-hydroxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[4-(aminomethyl)piperidin-1-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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]chromen-2-one;7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one.

Molecular Properties

• Compound Name: 7-[(4aR,7aR)-1-ethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(4aR,7aR)-1-(2-hydroxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[4-(aminomethyl)piperidin-1-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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]chromen-2-one;7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one
• PubChem CID: 157342554
• Molecular Formula: C121H126ClN23O11
• Molecular Weight: 2113.94 g/mol
• Exact Mass: 2111.97
• IUPAC Name: 7-[(4aR,7aR)-1-ethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(4aR,7aR)-1-(2-hydroxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[4-(aminomethyl)piperidin-1-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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]chromen-2-one;7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one
• SMILES: CCN1CCC[C@@H]2CN(c3ccc4cc(-c5cn6cc(C)nc(C)c6n5)c(=O)oc4c3)C[C@@H]21.Cc1cn2cc(-c3cc4ccc(N5CC6CC5CN6)cc4oc3=O)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5CCC(CN)CC5)cc4oc3=O)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5C[C@H]6CCCN(CCO)[C@H]6C5)cc4oc3=O)nc2c(C)n1.Cc1nc(Cl)cn2cc(-c3cc4ccc(N5C[C@@H]6C[C@H]5CN6C)cc4oc3=O)nc12
• InChI: InChI=1S/C26H29N5O3.C26H29N5O2.C24H26N4O2.C23H22N4O2.C22H20ClN5O2/c1-16-12-31-14-22(28-25(31)17(2)27-16)21-10-18-5-6-20(11-24(18)34-26(21)33)30-13-19-4-3-7-29(8-9-32)23(19)15-30;1-4-29-9-5-6-19-13-30(15-23(19)29)20-8-7-18-10-21(26(32)33-24(18)11-20)22-14-31-12-16(2)27-17(3)25(31)28-22;1-15-13-28-14-19(10-22(28)16(2)26-15)21-9-18-3-4-20(11-23(18)30-24(21)29)27-7-5-17(12-25)6-8-27;1-13-10-26-11-16(6-21(26)14(2)25-13)20-5-15-3-4-18(8-22(15)29-23(20)28)27-12-17-7-19(27)9-24-17;1-12-21-25-18(10-27(21)11-20(23)24-12)17-5-13-3-4-14(7-19(13)30-22(17)29)28-9-15-6-16(28)8-26(15)2/h5-6,10-12,14,19,23,32H,3-4,7-9,13,15H2,1-2H3;7-8,10-12,14,19,23H,4-6,9,13,15H2,1-3H3;3-4,9-11,13-14,17H,5-8,12,25H2,1-2H3;3-6,8,10-11,17,19,24H,7,9,12H2,1-2H3;3-5,7,10-11,15-16H,6,8-9H2,1-2H3/t2*19-,23+;;;15-,16-/m11..0/s1
• InChIKey: BGOLPKOPEFAUBX-CMFANFPRSA-N
• XLogP: 17.58
• TPSA: 360.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 34
• Rotatable Bonds: 14
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2113.94
LogP ≤ 5	17.58
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-ethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(4aR,7aR)-1-(2-hydroxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[4-(aminomethyl)piperidin-1-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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]chromen-2-one;7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one?

The IUPAC name of 7-[(4aR,7aR)-1-ethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(4aR,7aR)-1-(2-hydroxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[4-(aminomethyl)piperidin-1-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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]chromen-2-one;7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one (CID 157342554) is 7-[(4aR,7aR)-1-ethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(4aR,7aR)-1-(2-hydroxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[4-(aminomethyl)piperidin-1-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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]chromen-2-one;7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one.

What is the SMILES notation for 7-[(4aR,7aR)-1-ethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(4aR,7aR)-1-(2-hydroxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[4-(aminomethyl)piperidin-1-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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]chromen-2-one;7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one?

The canonical SMILES for 7-[(4aR,7aR)-1-ethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(4aR,7aR)-1-(2-hydroxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[4-(aminomethyl)piperidin-1-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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]chromen-2-one;7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one is CCN1CCC[C@@H]2CN(c3ccc4cc(-c5cn6cc(C)nc(C)c6n5)c(=O)oc4c3)C[C@@H]21.Cc1cn2cc(-c3cc4ccc(N5CC6CC5CN6)cc4oc3=O)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5CCC(CN)CC5)cc4oc3=O)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5C[C@H]6CCCN(CCO)[C@H]6C5)cc4oc3=O)nc2c(C)n1.Cc1nc(Cl)cn2cc(-c3cc4ccc(N5C[C@@H]6C[C@H]5CN6C)cc4oc3=O)nc12.

What is the InChIKey of 7-[(4aR,7aR)-1-ethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(4aR,7aR)-1-(2-hydroxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[4-(aminomethyl)piperidin-1-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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]chromen-2-one;7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one?

The InChIKey is BGOLPKOPEFAUBX-CMFANFPRSA-N. The full InChI is InChI=1S/C26H29N5O3.C26H29N5O2.C24H26N4O2.C23H22N4O2.C22H20ClN5O2/c1-16-12-31-14-22(28-25(31)17(2)27-16)21-10-18-5-6-20(11-24(18)34-26(21)33)30-13-19-4-3-7-29(8-9-32)23(19)15-30;1-4-29-9-5-6-19-13-30(15-23(19)29)20-8-7-18-10-21(26(32)33-24(18)11-20)22-14-31-12-16(2)27-17(3)25(31)28-22;1-15-13-28-14-19(10-22(28)16(2)26-15)21-9-18-3-4-20(11-23(18)30-24(21)29)27-7-5-17(12-25)6-8-27;1-13-10-26-11-16(6-21(26)14(2)25-13)20-5-15-3-4-18(8-22(15)29-23(20)28)27-12-17-7-19(27)9-24-17;1-12-21-25-18(10-27(21)11-20(23)24-12)17-5-13-3-4-14(7-19(13)30-22(17)29)28-9-15-6-16(28)8-26(15)2/h5-6,10-12,14,19,23,32H,3-4,7-9,13,15H2,1-2H3;7-8,10-12,14,19,23H,4-6,9,13,15H2,1-3H3;3-4,9-11,13-14,17H,5-8,12,25H2,1-2H3;3-6,8,10-11,17,19,24H,7,9,12H2,1-2H3;3-5,7,10-11,15-16H,6,8-9H2,1-2H3/t2*19-,23+;;;15-,16-/m11..0/s1.

What are the key properties of 7-[(4aR,7aR)-1-ethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(4aR,7aR)-1-(2-hydroxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[4-(aminomethyl)piperidin-1-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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]chromen-2-one;7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one?

7-[(4aR,7aR)-1-ethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(4aR,7aR)-1-(2-hydroxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[4-(aminomethyl)piperidin-1-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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]chromen-2-one;7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one has a molecular weight of 2113.94 g/mol, XLogP of 17.58, 14 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4aR,7aR)-1-ethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(4aR,7aR)-1-(2-hydroxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[4-(aminomethyl)piperidin-1-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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]chromen-2-one;7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one is sourced from PubChem (CID 157342554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).