1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrrolidin-2-one

C73H93BCl3F6N13O10 — CID 159864946

About 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrrolidin-2-one

1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrrolidin-2-one (PubChem CID 159864946) has the molecular formula C73H93BCl3F6N13O10 and a molecular weight of 1543.79 g/mol. Its IUPAC name is 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrrolidin-2-one
• PubChem CID: 159864946
• Molecular Formula: C73H93BCl3F6N13O10
• Molecular Weight: 1543.79 g/mol
• Exact Mass: 1541.62
• IUPAC Name: 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrrolidin-2-one
• SMILES: Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2CCCC2=O)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(Cl)nc(N2CCOCC2)c1.O=C1CCCN1.O=C1CCCN1c1cc(Cl)cc(N2CCOCC2)n1
• InChI: InChI=1S/C27H32F3N5O3.C20H28BF3N2O3.C13H16ClN3O2.C9H10Cl2N2O.C4H7NO/c1-18-4-5-21(31-26(37)34-8-6-19(17-34)16-27(28,29)30)15-22(18)20-13-23(33-9-11-38-12-10-33)32-24(14-20)35-7-2-3-25(35)36;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;14-10-8-11(16-4-6-19-7-5-16)15-12(9-10)17-3-1-2-13(17)18;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;6-4-2-1-3-5-4/h4-5,13-15,19H,2-3,6-12,16-17H2,1H3,(H,31,37);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);8-9H,1-7H2;5-6H,1-4H2;1-3H2,(H,5,6)/t19-;14-;;;/m00.../s1
• InChIKey: NRPQPDARTWQGBC-CUPKJWGSSA-N
• XLogP: 12.75
• TPSA: 228.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1543.79
LogP ≤ 5	12.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrrolidin-2-one?

The IUPAC name of 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrrolidin-2-one (CID 159864946) is 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrrolidin-2-one.

What is the SMILES notation for 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrrolidin-2-one?

The canonical SMILES for 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrrolidin-2-one is Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2CCCC2=O)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(Cl)nc(N2CCOCC2)c1.O=C1CCCN1.O=C1CCCN1c1cc(Cl)cc(N2CCOCC2)n1.

What is the InChIKey of 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrrolidin-2-one?

The InChIKey is NRPQPDARTWQGBC-CUPKJWGSSA-N. The full InChI is InChI=1S/C27H32F3N5O3.C20H28BF3N2O3.C13H16ClN3O2.C9H10Cl2N2O.C4H7NO/c1-18-4-5-21(31-26(37)34-8-6-19(17-34)16-27(28,29)30)15-22(18)20-13-23(33-9-11-38-12-10-33)32-24(14-20)35-7-2-3-25(35)36;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;14-10-8-11(16-4-6-19-7-5-16)15-12(9-10)17-3-1-2-13(17)18;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;6-4-2-1-3-5-4/h4-5,13-15,19H,2-3,6-12,16-17H2,1H3,(H,31,37);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);8-9H,1-7H2;5-6H,1-4H2;1-3H2,(H,5,6)/t19-;14-;;;/m00.../s1.

What are the key properties of 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrrolidin-2-one?

1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrrolidin-2-one has a molecular weight of 1543.79 g/mol, XLogP of 12.75, 11 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrrolidin-2-one is sourced from PubChem (CID 159864946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).