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

C58H71BClF3N10O6S2 — CID 165059393

About 4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-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-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-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 165059393) has the molecular formula C58H71BClF3N10O6S2 and a molecular weight of 1171.66 g/mol. Its IUPAC name is 4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-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-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-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: 165059393
• Molecular Formula: C58H71BClF3N10O6S2
• Molecular Weight: 1171.66 g/mol
• Exact Mass: 1170.47
• IUPAC Name: 4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-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(-c4cscn4)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(-c2cscn2)nc(N2CCOCC2)c1
• InChI: InChI=1S/C26H31N5O2S.C20H28BF3N2O3.C12H12ClN3OS/c1-3-19-6-7-31(15-19)26(32)28-21-5-4-18(2)22(14-21)20-12-23(24-16-34-17-27-24)29-25(13-20)30-8-10-33-11-9-30;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;13-9-5-10(11-7-18-8-14-11)15-12(6-9)16-1-3-17-4-2-16/h4-5,12-14,16-17,19H,3,6-11,15H2,1-2H3,(H,28,32);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);5-8H,1-4H2/t19-;14-;/m10./s1
• InChIKey: QYKWRUIVVFSHMH-DHPMYSARSA-N
• XLogP: 12.08
• TPSA: 159.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1171.66
LogP ≤ 5	12.08
H-Bond Donors ≤ 5	2
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 4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-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-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-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 165059393) is 4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-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-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-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-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-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(-c4cscn4)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(-c2cscn2)nc(N2CCOCC2)c1.

What is the InChIKey of 4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-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 QYKWRUIVVFSHMH-DHPMYSARSA-N. The full InChI is InChI=1S/C26H31N5O2S.C20H28BF3N2O3.C12H12ClN3OS/c1-3-19-6-7-31(15-19)26(32)28-21-5-4-18(2)22(14-21)20-12-23(24-16-34-17-27-24)29-25(13-20)30-8-10-33-11-9-30;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;13-9-5-10(11-7-18-8-14-11)15-12(6-9)16-1-3-17-4-2-16/h4-5,12-14,16-17,19H,3,6-11,15H2,1-2H3,(H,28,32);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);5-8H,1-4H2/t19-;14-;/m10./s1.

What are the key properties of 4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-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-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-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 1171.66 g/mol, XLogP of 12.08, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-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 165059393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).