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

C62H84BClF6N10O8 — CID 158192653

About (3S)-N-[3-[2-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;ethoxyethane;(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-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;ethoxyethane;(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 158192653) has the molecular formula C62H84BClF6N10O8 and a molecular weight of 1257.67 g/mol. Its IUPAC name is (3S)-N-[3-[2-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;ethoxyethane;(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-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;ethoxyethane;(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: 158192653
• Molecular Formula: C62H84BClF6N10O8
• Molecular Weight: 1257.67 g/mol
• Exact Mass: 1256.62
• IUPAC Name: (3S)-N-[3-[2-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;ethoxyethane;(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: CCOCC.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(N)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/C24H28F3N5O2.C20H28BF3N2O3.C14H18ClN3O2.C4H10O/c1-14-7-22(33)32(12-14)21-9-17(8-20(28)30-21)19-10-18(4-3-15(19)2)29-23(34)31-6-5-16(13-31)11-24(25,26)27;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;1-3-5-4-2/h3-4,8-10,14,16H,5-7,11-13H2,1-2H3,(H2,28,30)(H,29,34);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-8,10H,2-6,9H2,1H3;3-4H2,1-2H3/t14-,16+;14-;10-;/m101./s1
• InChIKey: FZYMGXBLKLJEJK-UNXRIQCWSA-N
• XLogP: 11.91
• TPSA: 197.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1257.67
LogP ≤ 5	11.91
H-Bond Donors ≤ 5	3
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 (3S)-N-[3-[2-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;ethoxyethane;(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-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;ethoxyethane;(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 158192653) is (3S)-N-[3-[2-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;ethoxyethane;(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-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;ethoxyethane;(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-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;ethoxyethane;(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 CCOCC.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(N)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 (3S)-N-[3-[2-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;ethoxyethane;(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 FZYMGXBLKLJEJK-UNXRIQCWSA-N. The full InChI is InChI=1S/C24H28F3N5O2.C20H28BF3N2O3.C14H18ClN3O2.C4H10O/c1-14-7-22(33)32(12-14)21-9-17(8-20(28)30-21)19-10-18(4-3-15(19)2)29-23(34)31-6-5-16(13-31)11-24(25,26)27;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;1-3-5-4-2/h3-4,8-10,14,16H,5-7,11-13H2,1-2H3,(H2,28,30)(H,29,34);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-8,10H,2-6,9H2,1H3;3-4H2,1-2H3/t14-,16+;14-;10-;/m101./s1.

What are the key properties of (3S)-N-[3-[2-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;ethoxyethane;(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-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;ethoxyethane;(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 1257.67 g/mol, XLogP of 11.91, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[3-[2-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(4R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;ethoxyethane;(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 158192653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).