1-(6-amino-4-chloro-2-pyridinyl)-5-hydroxypiperidin-2-one;(3S)-N-[3-[2-amino-6-(5-hydroxy-2-oxopiperidin-1-yl)-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;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

C62H88BClF6N10O10 — CID 158080215

About 1-(6-amino-4-chloro-2-pyridinyl)-5-hydroxypiperidin-2-one;(3S)-N-[3-[2-amino-6-(5-hydroxy-2-oxopiperidin-1-yl)-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;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

1-(6-amino-4-chloro-2-pyridinyl)-5-hydroxypiperidin-2-one;(3S)-N-[3-[2-amino-6-(5-hydroxy-2-oxopiperidin-1-yl)-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;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 158080215) has the molecular formula C62H88BClF6N10O10 and a molecular weight of 1293.70 g/mol. Its IUPAC name is 1-(6-amino-4-chloro-2-pyridinyl)-5-hydroxypiperidin-2-one;(3S)-N-[3-[2-amino-6-(5-hydroxy-2-oxopiperidin-1-yl)-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;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: 1-(6-amino-4-chloro-2-pyridinyl)-5-hydroxypiperidin-2-one;(3S)-N-[3-[2-amino-6-(5-hydroxy-2-oxopiperidin-1-yl)-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;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: 158080215
• Molecular Formula: C62H88BClF6N10O10
• Molecular Weight: 1293.70 g/mol
• Exact Mass: 1292.64
• IUPAC Name: 1-(6-amino-4-chloro-2-pyridinyl)-5-hydroxypiperidin-2-one;(3S)-N-[3-[2-amino-6-(5-hydroxy-2-oxopiperidin-1-yl)-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;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.CCOCC.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N)nc(N2CC(O)CCC2=O)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Nc1cc(Cl)cc(N2CC(O)CCC2=O)n1
• InChI: InChI=1S/C24H28F3N5O3.C20H28BF3N2O3.C10H12ClN3O2.2C4H10O/c1-14-2-3-17(29-23(35)31-7-6-15(12-31)11-24(25,26)27)10-19(14)16-8-20(28)30-21(9-16)32-13-18(33)4-5-22(32)34;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;11-6-3-8(12)13-9(4-6)14-5-7(15)1-2-10(14)16;2*1-3-5-4-2/h2-3,8-10,15,18,33H,4-7,11-13H2,1H3,(H2,28,30)(H,29,35);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);3-4,7,15H,1-2,5H2,(H2,12,13);2*3-4H2,1-2H3/t15-,18?;14-;;;/m00.../s1
• InChIKey: FMWCZRDYVOLRHP-FIVRSTGTSA-N
• XLogP: 10.92
• TPSA: 260.50 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1293.70
LogP ≤ 5	10.92
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-4-chloro-2-pyridinyl)-5-hydroxypiperidin-2-one;(3S)-N-[3-[2-amino-6-(5-hydroxy-2-oxopiperidin-1-yl)-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;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 1-(6-amino-4-chloro-2-pyridinyl)-5-hydroxypiperidin-2-one;(3S)-N-[3-[2-amino-6-(5-hydroxy-2-oxopiperidin-1-yl)-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;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 158080215) is 1-(6-amino-4-chloro-2-pyridinyl)-5-hydroxypiperidin-2-one;(3S)-N-[3-[2-amino-6-(5-hydroxy-2-oxopiperidin-1-yl)-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;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 1-(6-amino-4-chloro-2-pyridinyl)-5-hydroxypiperidin-2-one;(3S)-N-[3-[2-amino-6-(5-hydroxy-2-oxopiperidin-1-yl)-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;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 1-(6-amino-4-chloro-2-pyridinyl)-5-hydroxypiperidin-2-one;(3S)-N-[3-[2-amino-6-(5-hydroxy-2-oxopiperidin-1-yl)-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;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.CCOCC.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N)nc(N2CC(O)CCC2=O)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Nc1cc(Cl)cc(N2CC(O)CCC2=O)n1.

What is the InChIKey of 1-(6-amino-4-chloro-2-pyridinyl)-5-hydroxypiperidin-2-one;(3S)-N-[3-[2-amino-6-(5-hydroxy-2-oxopiperidin-1-yl)-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;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 FMWCZRDYVOLRHP-FIVRSTGTSA-N. The full InChI is InChI=1S/C24H28F3N5O3.C20H28BF3N2O3.C10H12ClN3O2.2C4H10O/c1-14-2-3-17(29-23(35)31-7-6-15(12-31)11-24(25,26)27)10-19(14)16-8-20(28)30-21(9-16)32-13-18(33)4-5-22(32)34;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;11-6-3-8(12)13-9(4-6)14-5-7(15)1-2-10(14)16;2*1-3-5-4-2/h2-3,8-10,15,18,33H,4-7,11-13H2,1H3,(H2,28,30)(H,29,35);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);3-4,7,15H,1-2,5H2,(H2,12,13);2*3-4H2,1-2H3/t15-,18?;14-;;;/m00.../s1.

What are the key properties of 1-(6-amino-4-chloro-2-pyridinyl)-5-hydroxypiperidin-2-one;(3S)-N-[3-[2-amino-6-(5-hydroxy-2-oxopiperidin-1-yl)-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;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?

1-(6-amino-4-chloro-2-pyridinyl)-5-hydroxypiperidin-2-one;(3S)-N-[3-[2-amino-6-(5-hydroxy-2-oxopiperidin-1-yl)-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;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 1293.70 g/mol, XLogP of 10.92, 12 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-amino-4-chloro-2-pyridinyl)-5-hydroxypiperidin-2-one;(3S)-N-[3-[2-amino-6-(5-hydroxy-2-oxopiperidin-1-yl)-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;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 158080215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).