2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)imidazole-1-carboxylate;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-imidazol-5-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[3-[2-(1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;formamide;(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

C100H126BBrCl4F3N21O14 — CID 164964646

About 2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)imidazole-1-carboxylate;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-imidazol-5-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[3-[2-(1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;formamide;(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;tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)imidazole-1-carboxylate;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-imidazol-5-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[3-[2-(1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;formamide;(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 164964646) has the molecular formula C100H126BBrCl4F3N21O14 and a molecular weight of 2135.76 g/mol. Its IUPAC name is 2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)imidazole-1-carboxylate;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-imidazol-5-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[3-[2-(1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;formamide;(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: 2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)imidazole-1-carboxylate;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-imidazol-5-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[3-[2-(1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;formamide;(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: 164964646
• Molecular Formula: C100H126BBrCl4F3N21O14
• Molecular Weight: 2135.76 g/mol
• Exact Mass: 2131.78
• IUPAC Name: 2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)imidazole-1-carboxylate;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-imidazol-5-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[3-[2-(1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;formamide;(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: C=C(OCC)c1cc(Cl)cc(N2CCOCC2)n1.CC(C)(C)OC(=O)n1cnc(-c2cc(Cl)cc(N3CCOCC3)n2)c1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4cnc[nH]4)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(-c2cnc[nH]2)nc(N2CCOCC2)c1.NC=O.O=C(CBr)c1cc(Cl)cc(N2CCOCC2)n1
• InChI: InChI=1S/C26H32N6O2.C20H28BF3N2O3.C17H21ClN4O3.C13H17ClN2O2.C12H13ClN4O.C11H12BrClN2O2.CH3NO/c1-3-19-6-7-32(16-19)26(33)29-21-5-4-18(2)22(14-21)20-12-23(24-15-27-17-28-24)30-25(13-20)31-8-10-34-11-9-31;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(2,3)25-16(23)22-10-14(19-11-22)13-8-12(18)9-15(20-13)21-4-6-24-7-5-21;1-3-18-10(2)12-8-11(14)9-13(15-12)16-4-6-17-7-5-16;13-9-5-10(11-7-14-8-15-11)16-12(6-9)17-1-3-18-4-2-17;12-7-10(16)9-5-8(13)6-11(14-9)15-1-3-17-4-2-15;2-1-3/h4-5,12-15,17,19H,3,6-11,16H2,1-2H3,(H,27,28)(H,29,33);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);8-11H,4-7H2,1-3H3;8-9H,2-7H2,1H3;5-8H,1-4H2,(H,14,15);5-6H,1-4,7H2;1H,(H2,2,3)/t19-;14-;;;;;/m10...../s1
• InChIKey: CHTMJGYWKJVIKV-DALQOFIKSA-N
• XLogP: 17.66
• TPSA: 380.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2135.76
LogP ≤ 5	17.66
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)imidazole-1-carboxylate;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-imidazol-5-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[3-[2-(1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;formamide;(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;tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)imidazole-1-carboxylate;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-imidazol-5-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[3-[2-(1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;formamide;(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 164964646) is 2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)imidazole-1-carboxylate;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-imidazol-5-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[3-[2-(1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;formamide;(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;tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)imidazole-1-carboxylate;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-imidazol-5-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[3-[2-(1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;formamide;(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;tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)imidazole-1-carboxylate;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-imidazol-5-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[3-[2-(1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;formamide;(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 C=C(OCC)c1cc(Cl)cc(N2CCOCC2)n1.CC(C)(C)OC(=O)n1cnc(-c2cc(Cl)cc(N3CCOCC3)n2)c1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4cnc[nH]4)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(-c2cnc[nH]2)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;tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)imidazole-1-carboxylate;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-imidazol-5-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[3-[2-(1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;formamide;(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 CHTMJGYWKJVIKV-DALQOFIKSA-N. The full InChI is InChI=1S/C26H32N6O2.C20H28BF3N2O3.C17H21ClN4O3.C13H17ClN2O2.C12H13ClN4O.C11H12BrClN2O2.CH3NO/c1-3-19-6-7-32(16-19)26(33)29-21-5-4-18(2)22(14-21)20-12-23(24-15-27-17-28-24)30-25(13-20)31-8-10-34-11-9-31;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(2,3)25-16(23)22-10-14(19-11-22)13-8-12(18)9-15(20-13)21-4-6-24-7-5-21;1-3-18-10(2)12-8-11(14)9-13(15-12)16-4-6-17-7-5-16;13-9-5-10(11-7-14-8-15-11)16-12(6-9)17-1-3-18-4-2-17;12-7-10(16)9-5-8(13)6-11(14-9)15-1-3-17-4-2-15;2-1-3/h4-5,12-15,17,19H,3,6-11,16H2,1-2H3,(H,27,28)(H,29,33);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);8-11H,4-7H2,1-3H3;8-9H,2-7H2,1H3;5-8H,1-4H2,(H,14,15);5-6H,1-4,7H2;1H,(H2,2,3)/t19-;14-;;;;;/m10...../s1.

What are the key properties of 2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)imidazole-1-carboxylate;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-imidazol-5-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[3-[2-(1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;formamide;(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;tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)imidazole-1-carboxylate;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-imidazol-5-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[3-[2-(1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;formamide;(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 2135.76 g/mol, XLogP of 17.66, 19 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)imidazole-1-carboxylate;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-imidazol-5-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[3-[2-(1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;formamide;(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 164964646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).