(3S)-N-[3-[2-[(4S)-4-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4S)-4-methylpyrrolidin-2-one;(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

C103H132BCl3F9N19O13 — CID 159185981

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

(3S)-N-[3-[2-[(4S)-4-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4S)-4-methylpyrrolidin-2-one;(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 (PubChem CID 159185981) has the molecular formula C103H132BCl3F9N19O13 and a molecular weight of 2132.46 g/mol. Its IUPAC name is (3S)-N-[3-[2-[(4S)-4-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4S)-4-methylpyrrolidin-2-one;(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.

Molecular Properties

• Compound Name: (3S)-N-[3-[2-[(4S)-4-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4S)-4-methylpyrrolidin-2-one;(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
• PubChem CID: 159185981
• Molecular Formula: C103H132BCl3F9N19O13
• Molecular Weight: 2132.46 g/mol
• Exact Mass: 2129.93
• IUPAC Name: (3S)-N-[3-[2-[(4S)-4-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4S)-4-methylpyrrolidin-2-one;(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
• SMILES: C[C@@H]1CNC(=O)C1.C[C@H]1CC(=O)N(c2cc(Cl)cc(N3CCOCC3)n2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2C[C@@H](C)CC2=O)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2C[C@@H](N)CC2=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
• InChI: InChI=1S/C28H34F3N5O3.C27H33F3N6O3.C20H28BF3N2O3.C14H18ClN3O2.C9H10Cl2N2O.C5H9NO/c1-18-11-26(37)36(16-18)25-13-21(12-24(33-25)34-7-9-39-10-8-34)23-14-22(4-3-19(23)2)32-27(38)35-6-5-20(17-35)15-28(29,30)31;1-17-2-3-21(32-26(38)35-5-4-18(15-35)14-27(28,29)30)13-22(17)19-10-23(34-6-8-39-9-7-34)33-24(11-19)36-16-20(31)12-25(36)37;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;1-10-6-14(19)18(9-10)13-8-11(15)7-12(16-13)17-2-4-20-5-3-17;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;1-4-2-5(7)6-3-4/h3-4,12-14,18,20H,5-11,15-17H2,1-2H3,(H,32,38);2-3,10-11,13,18,20H,4-9,12,14-16,31H2,1H3,(H,32,38);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-8,10H,2-6,9H2,1H3;5-6H,1-4H2;4H,2-3H2,1H3,(H,6,7)/t2*18-,20-;14-;10-;;4-/m0000.0/s1
• InChIKey: KNMKWVYSZQCGIS-WHERHADMSA-N
• XLogP: 17.25
• TPSA: 332.97 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2132.46
LogP ≤ 5	17.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

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 (3S)-N-[3-[2-[(4S)-4-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4S)-4-methylpyrrolidin-2-one;(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?

The IUPAC name of (3S)-N-[3-[2-[(4S)-4-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4S)-4-methylpyrrolidin-2-one;(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 (CID 159185981) is (3S)-N-[3-[2-[(4S)-4-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4S)-4-methylpyrrolidin-2-one;(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.

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

The canonical SMILES for (3S)-N-[3-[2-[(4S)-4-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4S)-4-methylpyrrolidin-2-one;(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 is C[C@@H]1CNC(=O)C1.C[C@H]1CC(=O)N(c2cc(Cl)cc(N3CCOCC3)n2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2C[C@@H](C)CC2=O)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2C[C@@H](N)CC2=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.

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

The InChIKey is KNMKWVYSZQCGIS-WHERHADMSA-N. The full InChI is InChI=1S/C28H34F3N5O3.C27H33F3N6O3.C20H28BF3N2O3.C14H18ClN3O2.C9H10Cl2N2O.C5H9NO/c1-18-11-26(37)36(16-18)25-13-21(12-24(33-25)34-7-9-39-10-8-34)23-14-22(4-3-19(23)2)32-27(38)35-6-5-20(17-35)15-28(29,30)31;1-17-2-3-21(32-26(38)35-5-4-18(15-35)14-27(28,29)30)13-22(17)19-10-23(34-6-8-39-9-7-34)33-24(11-19)36-16-20(31)12-25(36)37;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;1-10-6-14(19)18(9-10)13-8-11(15)7-12(16-13)17-2-4-20-5-3-17;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;1-4-2-5(7)6-3-4/h3-4,12-14,18,20H,5-11,15-17H2,1-2H3,(H,32,38);2-3,10-11,13,18,20H,4-9,12,14-16,31H2,1H3,(H,32,38);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-8,10H,2-6,9H2,1H3;5-6H,1-4H2;4H,2-3H2,1H3,(H,6,7)/t2*18-,20-;14-;10-;;4-/m0000.0/s1.

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

(3S)-N-[3-[2-[(4S)-4-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4S)-4-methylpyrrolidin-2-one;(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 has a molecular weight of 2132.46 g/mol, XLogP of 17.25, 16 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[3-[2-[(4S)-4-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4S)-4-methylpyrrolidin-2-one;(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 is sourced from PubChem (CID 159185981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).