(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3R)-3-ethyl-N-[3-[2-(hydroxymethyl)-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

C54H73BClF3N8O8 — CID 164976375

About (4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3R)-3-ethyl-N-[3-[2-(hydroxymethyl)-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

(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3R)-3-ethyl-N-[3-[2-(hydroxymethyl)-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 164976375) has the molecular formula C54H73BClF3N8O8 and a molecular weight of 1065.48 g/mol. Its IUPAC name is (4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3R)-3-ethyl-N-[3-[2-(hydroxymethyl)-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: (4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3R)-3-ethyl-N-[3-[2-(hydroxymethyl)-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: 164976375
• Molecular Formula: C54H73BClF3N8O8
• Molecular Weight: 1065.48 g/mol
• Exact Mass: 1064.53
• IUPAC Name: (4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3R)-3-ethyl-N-[3-[2-(hydroxymethyl)-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(CO)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.OCc1cc(Cl)cc(N2CCOCC2)n1
• InChI: InChI=1S/C24H32N4O3.C20H28BF3N2O3.C10H13ClN2O2/c1-3-18-6-7-28(15-18)24(30)26-20-5-4-17(2)22(14-20)19-12-21(16-29)25-23(13-19)27-8-10-31-11-9-27;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;11-8-5-9(7-14)12-10(6-8)13-1-3-15-4-2-13/h4-5,12-14,18,29H,3,6-11,15-16H2,1-2H3,(H,26,30);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);5-6,14H,1-4,7H2/t18-;14-;/m10./s1
• InChIKey: DVNSNCOXFPLNSX-FUHOWXEXSA-N
• XLogP: 8.81
• TPSA: 174.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1065.48
LogP ≤ 5	8.81
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 (4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3R)-3-ethyl-N-[3-[2-(hydroxymethyl)-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 (4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3R)-3-ethyl-N-[3-[2-(hydroxymethyl)-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 164976375) is (4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3R)-3-ethyl-N-[3-[2-(hydroxymethyl)-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 (4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3R)-3-ethyl-N-[3-[2-(hydroxymethyl)-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 (4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3R)-3-ethyl-N-[3-[2-(hydroxymethyl)-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(CO)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.OCc1cc(Cl)cc(N2CCOCC2)n1.

What is the InChIKey of (4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3R)-3-ethyl-N-[3-[2-(hydroxymethyl)-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 DVNSNCOXFPLNSX-FUHOWXEXSA-N. The full InChI is InChI=1S/C24H32N4O3.C20H28BF3N2O3.C10H13ClN2O2/c1-3-18-6-7-28(15-18)24(30)26-20-5-4-17(2)22(14-20)19-12-21(16-29)25-23(13-19)27-8-10-31-11-9-27;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;11-8-5-9(7-14)12-10(6-8)13-1-3-15-4-2-13/h4-5,12-14,18,29H,3,6-11,15-16H2,1-2H3,(H,26,30);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);5-6,14H,1-4,7H2/t18-;14-;/m10./s1.

What are the key properties of (4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3R)-3-ethyl-N-[3-[2-(hydroxymethyl)-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?

(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3R)-3-ethyl-N-[3-[2-(hydroxymethyl)-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 1065.48 g/mol, XLogP of 8.81, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3R)-3-ethyl-N-[3-[2-(hydroxymethyl)-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 164976375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).