(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5-propan-2-yl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one

C105H94N28O15S — CID 157059844

About (3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5-propan-2-yl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one

(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5-propan-2-yl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one (PubChem CID 157059844) has the molecular formula C105H94N28O15S and a molecular weight of 2020.15 g/mol. Its IUPAC name is (3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5-propan-2-yl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one.

Molecular Properties

• Compound Name: (3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5-propan-2-yl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
• PubChem CID: 157059844
• Molecular Formula: C105H94N28O15S
• Molecular Weight: 2020.15 g/mol
• Exact Mass: 2018.72
• IUPAC Name: (3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5-propan-2-yl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
• SMILES: CC(C)c1cnc(-c2nc(-c3cccc4c3C[C@H]3CC(=O)N(CCO)[C@@H]43)no2)s1.O=C1C[C@@H]2Cc3c(-c4noc(-c5cn6cccnc6n5)n4)cccc3[C@@H]2N1CCO.O=C1C[C@@H]2Cc3c(-c4noc(-c5cnc6ncccn56)n4)cccc3[C@@H]2N1CCO.O=C1C[C@H]2Cc3c(-c4noc(-c5cn6cccnc6n5)n4)cccc3[C@H]2N1CCO.O=C1C[C@H]2Cc3c(-c4noc(-c5cnc6ncccn56)n4)cccc3[C@H]2N1CCO
• InChI: InChI=1S/4C21H18N6O3.C21H22N4O3S/c2*28-8-7-27-17(29)10-12-9-15-13(18(12)27)3-1-4-14(15)19-24-20(30-25-19)16-11-26-6-2-5-22-21(26)23-16;2*28-8-7-27-17(29)10-12-9-15-13(18(12)27)3-1-4-14(15)19-24-20(30-25-19)16-11-23-21-22-5-2-6-26(16)21;1-11(2)16-10-22-21(29-16)20-23-19(24-28-20)14-5-3-4-13-15(14)8-12-9-17(27)25(6-7-26)18(12)13/h4*1-6,11-12,18,28H,7-10H2;3-5,10-12,18,26H,6-9H2,1-2H3/t5*12-,18+/m10100/s1
• InChIKey: ABEWEIFGLGPWAS-MNZIJRAKSA-N
• XLogP: 10.96
• TPSA: 530.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 21
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2020.15
LogP ≤ 5	10.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5-propan-2-yl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one?

The IUPAC name of (3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5-propan-2-yl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one (CID 157059844) is (3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5-propan-2-yl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one.

What is the SMILES notation for (3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5-propan-2-yl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one?

The canonical SMILES for (3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5-propan-2-yl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one is CC(C)c1cnc(-c2nc(-c3cccc4c3C[C@H]3CC(=O)N(CCO)[C@@H]43)no2)s1.O=C1C[C@@H]2Cc3c(-c4noc(-c5cn6cccnc6n5)n4)cccc3[C@@H]2N1CCO.O=C1C[C@@H]2Cc3c(-c4noc(-c5cnc6ncccn56)n4)cccc3[C@@H]2N1CCO.O=C1C[C@H]2Cc3c(-c4noc(-c5cn6cccnc6n5)n4)cccc3[C@H]2N1CCO.O=C1C[C@H]2Cc3c(-c4noc(-c5cnc6ncccn56)n4)cccc3[C@H]2N1CCO.

What is the InChIKey of (3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5-propan-2-yl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one?

The InChIKey is ABEWEIFGLGPWAS-MNZIJRAKSA-N. The full InChI is InChI=1S/4C21H18N6O3.C21H22N4O3S/c2*28-8-7-27-17(29)10-12-9-15-13(18(12)27)3-1-4-14(15)19-24-20(30-25-19)16-11-26-6-2-5-22-21(26)23-16;2*28-8-7-27-17(29)10-12-9-15-13(18(12)27)3-1-4-14(15)19-24-20(30-25-19)16-11-23-21-22-5-2-6-26(16)21;1-11(2)16-10-22-21(29-16)20-23-19(24-28-20)14-5-3-4-13-15(14)8-12-9-17(27)25(6-7-26)18(12)13/h4*1-6,11-12,18,28H,7-10H2;3-5,10-12,18,26H,6-9H2,1-2H3/t5*12-,18+/m10100/s1.

What are the key properties of (3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5-propan-2-yl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one?

(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5-propan-2-yl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one has a molecular weight of 2020.15 g/mol, XLogP of 10.96, 21 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5-propan-2-yl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one is sourced from PubChem (CID 157059844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).