4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-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;morpholine;sulfane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

C96H125B2Cl4F3I2N16O11S3 — CID 164997897

About 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-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;morpholine;sulfane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-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;morpholine;sulfane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole (PubChem CID 164997897) has the molecular formula C96H125B2Cl4F3I2N16O11S3 and a molecular weight of 2249.60 g/mol. Its IUPAC name is 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-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;morpholine;sulfane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole.

Molecular Properties

• Compound Name: 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-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;morpholine;sulfane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
• PubChem CID: 164997897
• Molecular Formula: C96H125B2Cl4F3I2N16O11S3
• Molecular Weight: 2249.60 g/mol
• Exact Mass: 2246.59
• IUPAC Name: 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-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;morpholine;sulfane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
• SMILES: C1COCCN1.CC1(C)OB(c2cncs2)OC1(C)C.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4cncs4)nc(N4CCOCC4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(Cl)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(I)cc(Cl)n1.Clc1cc(I)cc(N2CCOCC2)n1.S
• InChI: InChI=1S/C26H31N5O2S.C23H29ClN4O2.C20H28BF3N2O3.C9H14BNO2S.C9H10ClIN2O.C5H2Cl2IN.C4H9NO.H2S/c1-3-19-6-7-31(16-19)26(32)28-21-5-4-18(2)22(14-21)20-12-23(24-15-27-17-34-24)29-25(13-20)30-8-10-33-11-9-30;1-3-17-6-7-28(15-17)23(29)25-19-5-4-16(2)20(14-19)18-12-21(24)26-22(13-18)27-8-10-30-11-9-27;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;1-8(2)9(3,4)13-10(12-8)7-5-11-6-14-7;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;6-4-1-3(8)2-5(7)9-4;1-3-6-4-2-5-1;/h4-5,12-15,17,19H,3,6-11,16H2,1-2H3,(H,28,32);4-5,12-14,17H,3,6-11,15H2,1-2H3,(H,25,29);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);5-6H,1-4H3;5-6H,1-4H2;1-2H;5H,1-4H2;1H2/t19-;17-;14-;;;;;/m110...../s1
• InChIKey: HUSVHTAFFZFAAB-RUVSIOMESA-N
• XLogP: 20.52
• TPSA: 269.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2249.60
LogP ≤ 5	20.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-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;morpholine;sulfane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?

The IUPAC name of 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-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;morpholine;sulfane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole (CID 164997897) is 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-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;morpholine;sulfane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole.

What is the SMILES notation for 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-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;morpholine;sulfane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?

The canonical SMILES for 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-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;morpholine;sulfane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole is C1COCCN1.CC1(C)OB(c2cncs2)OC1(C)C.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4cncs4)nc(N4CCOCC4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(Cl)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(I)cc(Cl)n1.Clc1cc(I)cc(N2CCOCC2)n1.S.

What is the InChIKey of 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-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;morpholine;sulfane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?

The InChIKey is HUSVHTAFFZFAAB-RUVSIOMESA-N. The full InChI is InChI=1S/C26H31N5O2S.C23H29ClN4O2.C20H28BF3N2O3.C9H14BNO2S.C9H10ClIN2O.C5H2Cl2IN.C4H9NO.H2S/c1-3-19-6-7-31(16-19)26(32)28-21-5-4-18(2)22(14-21)20-12-23(24-15-27-17-34-24)29-25(13-20)30-8-10-33-11-9-30;1-3-17-6-7-28(15-17)23(29)25-19-5-4-16(2)20(14-19)18-12-21(24)26-22(13-18)27-8-10-30-11-9-27;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;1-8(2)9(3,4)13-10(12-8)7-5-11-6-14-7;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;6-4-1-3(8)2-5(7)9-4;1-3-6-4-2-5-1;/h4-5,12-15,17,19H,3,6-11,16H2,1-2H3,(H,28,32);4-5,12-14,17H,3,6-11,15H2,1-2H3,(H,25,29);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);5-6H,1-4H3;5-6H,1-4H2;1-2H;5H,1-4H2;1H2/t19-;17-;14-;;;;;/m110...../s1.

What are the key properties of 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-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;morpholine;sulfane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?

4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-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;morpholine;sulfane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole has a molecular weight of 2249.60 g/mol, XLogP of 20.52, 14 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-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;morpholine;sulfane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole is sourced from PubChem (CID 164997897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).