(4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;(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;(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

C62H80BClF6N10O8 — CID 160634506

About (4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;(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;(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

(4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;(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;(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 160634506) has the molecular formula C62H80BClF6N10O8 and a molecular weight of 1253.64 g/mol. Its IUPAC name is (4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;(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;(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: (4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;(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;(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: 160634506
• Molecular Formula: C62H80BClF6N10O8
• Molecular Weight: 1253.64 g/mol
• Exact Mass: 1252.58
• IUPAC Name: (4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;(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;(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]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)cc1B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C28H34F3N5O3.C20H28BF3N2O3.C14H18ClN3O2/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;1-13-6-7-15(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/h3-4,12-14,18,20H,5-11,15-17H2,1-2H3,(H,32,38);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-8,10H,2-6,9H2,1H3/t18-,20-;14-;10-/m000/s1
• InChIKey: RIJBMXLYCKQEQE-WVTGSAOZSA-N
• XLogP: 11.12
• TPSA: 174.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1253.64
LogP ≤ 5	11.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;(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;(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 (4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;(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;(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 160634506) is (4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;(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;(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 (4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;(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;(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 (4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;(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;(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]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)cc1B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of (4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;(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;(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 RIJBMXLYCKQEQE-WVTGSAOZSA-N. The full InChI is InChI=1S/C28H34F3N5O3.C20H28BF3N2O3.C14H18ClN3O2/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;1-13-6-7-15(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/h3-4,12-14,18,20H,5-11,15-17H2,1-2H3,(H,32,38);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-8,10H,2-6,9H2,1H3/t18-,20-;14-;10-/m000/s1.

What are the key properties of (4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;(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;(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?

(4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;(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;(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 1253.64 g/mol, XLogP of 11.12, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;(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;(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 160634506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).