2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;formamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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

C70H83BBrCl2F6N13O9S2 — CID 167694230

IUPAC2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;formamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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
SMILESCc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(-c2cscn2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(-c2cscn2)nc(N2CCOCC2)c1.NC=O.O=C(CBr)c1cc(Cl)cc(N2CCOCC2)n1
InChIInChI=1S/C26H28F3N5O2S.C20H28BF3N2O3.C12H12ClN3OS.C11H12BrClN2O2.CH3NO/c1-17-2-3-20(31-25(35)34-5-4-18(14-34)13-26(27,28)29)12-21(17)19-10-22(23-15-37-16-30-23)32-24(11-19)33-6-8-36-9-7-33;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;12-7-10(16)9-5-8(13)6-11(14-9)15-1-3-17-4-2-15;2-1-3/h2-3,10-12,15-16,18H,4-9,13-14H2,1H3,(H,31,35);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);5-8H,1-4H2;5-6H,1-4,7H2;1H,(H2,2,3)/t18-;14-;;;/m00.../s1
InChIKeyXKEQCTNRQXPIDE-INCPHHGCSA-N
MW1590.26 g/mol
LogP13.87
Rot. Bonds13

About 2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;formamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;formamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 167694230) has the molecular formula C70H83BBrCl2F6N13O9S2 and a molecular weight of 1590.26 g/mol. Its IUPAC name is 2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;formamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 Name2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;formamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 CID167694230
Molecular FormulaC70H83BBrCl2F6N13O9S2
Molecular Weight1590.26 g/mol
Exact Mass1587.44
IUPAC Name2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;formamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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
SMILESCc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(-c2cscn2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(-c2cscn2)nc(N2CCOCC2)c1.NC=O.O=C(CBr)c1cc(Cl)cc(N2CCOCC2)n1
InChIInChI=1S/C26H28F3N5O2S.C20H28BF3N2O3.C12H12ClN3OS.C11H12BrClN2O2.CH3NO/c1-17-2-3-20(31-25(35)34-5-4-18(14-34)13-26(27,28)29)12-21(17)19-10-22(23-15-37-16-30-23)32-24(11-19)33-6-8-36-9-7-33;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;12-7-10(16)9-5-8(13)6-11(14-9)15-1-3-17-4-2-15;2-1-3/h2-3,10-12,15-16,18H,4-9,13-14H2,1H3,(H,31,35);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);5-8H,1-4H2;5-6H,1-4,7H2;1H,(H2,2,3)/t18-;14-;;;/m00.../s1
InChIKeyXKEQCTNRQXPIDE-INCPHHGCSA-N
XLogP13.87
TPSA245.16 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001590.26
LogP ≤ 513.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;formamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 with MolForge

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Related Compounds

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
2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;bis((3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide);methanethioamide;(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 165108206
4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 167555546
4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3S)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 167579990
(3S)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
CID 167581471
2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;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;methanethioamide;(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 167665743

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;formamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;formamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 167694230) is 2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;formamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;formamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;formamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(-c2cscn2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(-c2cscn2)nc(N2CCOCC2)c1.NC=O.O=C(CBr)c1cc(Cl)cc(N2CCOCC2)n1.
What is the InChIKey of 2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;formamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 XKEQCTNRQXPIDE-INCPHHGCSA-N. The full InChI is InChI=1S/C26H28F3N5O2S.C20H28BF3N2O3.C12H12ClN3OS.C11H12BrClN2O2.CH3NO/c1-17-2-3-20(31-25(35)34-5-4-18(14-34)13-26(27,28)29)12-21(17)19-10-22(23-15-37-16-30-23)32-24(11-19)33-6-8-36-9-7-33;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;12-7-10(16)9-5-8(13)6-11(14-9)15-1-3-17-4-2-15;2-1-3/h2-3,10-12,15-16,18H,4-9,13-14H2,1H3,(H,31,35);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);5-8H,1-4H2;5-6H,1-4,7H2;1H,(H2,2,3)/t18-;14-;;;/m00.../s1.
What are the key properties of 2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;formamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;formamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 1590.26 g/mol, XLogP of 13.87, 13 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;formamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 167694230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).