2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)propan-2-ol;(3R)-3-ethyl-N-[3-[2-(2-hydroxypropan-2-yl)-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

C58H81BClF3N8O8 — CID 167701145

About 2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)propan-2-ol;(3R)-3-ethyl-N-[3-[2-(2-hydroxypropan-2-yl)-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)propan-2-ol;(3R)-3-ethyl-N-[3-[2-(2-hydroxypropan-2-yl)-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 167701145) has the molecular formula C58H81BClF3N8O8 and a molecular weight of 1121.59 g/mol. Its IUPAC name is 2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)propan-2-ol;(3R)-3-ethyl-N-[3-[2-(2-hydroxypropan-2-yl)-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)propan-2-ol;(3R)-3-ethyl-N-[3-[2-(2-hydroxypropan-2-yl)-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: 167701145
• Molecular Formula: C58H81BClF3N8O8
• Molecular Weight: 1121.59 g/mol
• Exact Mass: 1120.59
• IUPAC Name: 2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)propan-2-ol;(3R)-3-ethyl-N-[3-[2-(2-hydroxypropan-2-yl)-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)(O)c1cc(Cl)cc(N2CCOCC2)n1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)nc(C(C)(C)O)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C26H36N4O3.C20H28BF3N2O3.C12H17ClN2O2/c1-5-19-8-9-30(17-19)25(31)27-21-7-6-18(2)22(16-21)20-14-23(26(3,4)32)28-24(15-20)29-10-12-33-13-11-29;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;1-12(2,16)10-7-9(13)8-11(14-10)15-3-5-17-6-4-15/h6-7,14-16,19,32H,5,8-13,17H2,1-4H3,(H,27,31);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-8,16H,3-6H2,1-2H3/t19-;14-;/m10./s1
• InChIKey: YKEWPKDIICUGQE-DHPMYSARSA-N
• XLogP: 10.28
• TPSA: 174.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1121.59
LogP ≤ 5	10.28
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)propan-2-ol;(3R)-3-ethyl-N-[3-[2-(2-hydroxypropan-2-yl)-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)propan-2-ol;(3R)-3-ethyl-N-[3-[2-(2-hydroxypropan-2-yl)-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 167701145) is 2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)propan-2-ol;(3R)-3-ethyl-N-[3-[2-(2-hydroxypropan-2-yl)-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)propan-2-ol;(3R)-3-ethyl-N-[3-[2-(2-hydroxypropan-2-yl)-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)propan-2-ol;(3R)-3-ethyl-N-[3-[2-(2-hydroxypropan-2-yl)-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)(O)c1cc(Cl)cc(N2CCOCC2)n1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)nc(C(C)(C)O)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of 2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)propan-2-ol;(3R)-3-ethyl-N-[3-[2-(2-hydroxypropan-2-yl)-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 YKEWPKDIICUGQE-DHPMYSARSA-N. The full InChI is InChI=1S/C26H36N4O3.C20H28BF3N2O3.C12H17ClN2O2/c1-5-19-8-9-30(17-19)25(31)27-21-7-6-18(2)22(16-21)20-14-23(26(3,4)32)28-24(15-20)29-10-12-33-13-11-29;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;1-12(2,16)10-7-9(13)8-11(14-10)15-3-5-17-6-4-15/h6-7,14-16,19,32H,5,8-13,17H2,1-4H3,(H,27,31);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-8,16H,3-6H2,1-2H3/t19-;14-;/m10./s1.

What are the key properties of 2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)propan-2-ol;(3R)-3-ethyl-N-[3-[2-(2-hydroxypropan-2-yl)-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)propan-2-ol;(3R)-3-ethyl-N-[3-[2-(2-hydroxypropan-2-yl)-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 1121.59 g/mol, XLogP of 10.28, 10 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)propan-2-ol;(3R)-3-ethyl-N-[3-[2-(2-hydroxypropan-2-yl)-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 167701145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).