2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]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

C56H77BClF3N8O8 — CID 167642758

About 2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]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

2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]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 167642758) has the molecular formula C56H77BClF3N8O8 and a molecular weight of 1093.54 g/mol. Its IUPAC name is 2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]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: 2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]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: 167642758
• Molecular Formula: C56H77BClF3N8O8
• Molecular Weight: 1093.54 g/mol
• Exact Mass: 1092.56
• IUPAC Name: 2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]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: CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(CCO)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.OCCc1cc(Cl)cc(N2CCOCC2)n1
• InChI: InChI=1S/C25H34N4O3.C20H28BF3N2O3.C11H15ClN2O2/c1-3-19-6-8-29(17-19)25(31)27-21-5-4-18(2)23(16-21)20-14-22(7-11-30)26-24(15-20)28-9-12-32-13-10-28;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;12-9-7-10(1-4-15)13-11(8-9)14-2-5-16-6-3-14/h4-5,14-16,19,30H,3,6-13,17H2,1-2H3,(H,27,31);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-8,15H,1-6H2/t19-;14-;/m10./s1
• InChIKey: PKCPLEAXQSYGAW-DHPMYSARSA-N
• XLogP: 8.90
• TPSA: 174.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1093.54
LogP ≤ 5	8.90
H-Bond Donors ≤ 5	4
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 2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]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 2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]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 167642758) is 2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]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 2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]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 2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]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 CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(CCO)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.OCCc1cc(Cl)cc(N2CCOCC2)n1.

What is the InChIKey of 2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]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 PKCPLEAXQSYGAW-DHPMYSARSA-N. The full InChI is InChI=1S/C25H34N4O3.C20H28BF3N2O3.C11H15ClN2O2/c1-3-19-6-8-29(17-19)25(31)27-21-5-4-18(2)23(16-21)20-14-22(7-11-30)26-24(15-20)28-9-12-32-13-10-28;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;12-9-7-10(1-4-15)13-11(8-9)14-2-5-16-6-3-14/h4-5,14-16,19,30H,3,6-13,17H2,1-2H3,(H,27,31);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-8,15H,1-6H2/t19-;14-;/m10./s1.

What are the key properties of 2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]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?

2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]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 1093.54 g/mol, XLogP of 8.90, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]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 167642758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).