4-[4-chloro-6-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]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

C58H75BClF3N14O6 — CID 165020106

About 4-[4-chloro-6-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]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-[4-chloro-6-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]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 165020106) has the molecular formula C58H75BClF3N14O6 and a molecular weight of 1167.59 g/mol. Its IUPAC name is 4-[4-chloro-6-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]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-[4-chloro-6-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]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: 165020106
• Molecular Formula: C58H75BClF3N14O6
• Molecular Weight: 1167.59 g/mol
• Exact Mass: 1166.57
• IUPAC Name: 4-[4-chloro-6-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]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(-c4nncn4C)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Cn1cnnc1-c1cc(Cl)cc(N2CCOCC2)n1
• InChI: InChI=1S/C26H33N7O2.C20H28BF3N2O3.C12H14ClN5O/c1-4-19-7-8-33(16-19)26(34)28-21-6-5-18(2)22(15-21)20-13-23(25-30-27-17-31(25)3)29-24(14-20)32-9-11-35-12-10-32;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;1-17-8-14-16-12(17)10-6-9(13)7-11(15-10)18-2-4-19-5-3-18/h5-6,13-15,17,19H,4,7-12,16H2,1-3H3,(H,28,34);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);6-8H,2-5H2,1H3/t19-;14-;/m10./s1
• InChIKey: LALLXMQXRHMERQ-DHPMYSARSA-N
• XLogP: 9.42
• TPSA: 195.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1167.59
LogP ≤ 5	9.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]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-[4-chloro-6-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]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 165020106) is 4-[4-chloro-6-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]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-[4-chloro-6-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]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-[4-chloro-6-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]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(-c4nncn4C)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Cn1cnnc1-c1cc(Cl)cc(N2CCOCC2)n1.

What is the InChIKey of 4-[4-chloro-6-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]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 LALLXMQXRHMERQ-DHPMYSARSA-N. The full InChI is InChI=1S/C26H33N7O2.C20H28BF3N2O3.C12H14ClN5O/c1-4-19-7-8-33(16-19)26(34)28-21-6-5-18(2)22(15-21)20-13-23(25-30-27-17-31(25)3)29-24(14-20)32-9-11-35-12-10-32;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;1-17-8-14-16-12(17)10-6-9(13)7-11(15-10)18-2-4-19-5-3-18/h5-6,13-15,17,19H,4,7-12,16H2,1-3H3,(H,28,34);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);6-8H,2-5H2,1H3/t19-;14-;/m10./s1.

What are the key properties of 4-[4-chloro-6-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]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-[4-chloro-6-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]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 1167.59 g/mol, XLogP of 9.42, 10 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-chloro-6-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]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 165020106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).