About tert-butyl 4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl formate;2-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidine;(4-chloro-2-fluorophenyl)methanol;2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[(4-chloro-2-fluorophenyl)methoxy]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine;2,4-dichloropyrimidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine
tert-butyl 4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl formate;2-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidine;(4-chloro-2-fluorophenyl)methanol;2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[(4-chloro-2-fluorophenyl)methoxy]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine;2,4-dichloropyrimidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 157069837) has the molecular formula C154H166BCl10F6N23O21
and a molecular weight of 3154.49 g/mol. Its IUPAC name is tert-butyl 4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl formate;2-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidine;(4-chloro-2-fluorophenyl)methanol;2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[(4-chloro-2-fluorophenyl)methoxy]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine;2,4-dichloropyrimidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine.
Frequently Asked Questions
What is the IUPAC name of tert-butyl 4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl formate;2-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidine;(4-chloro-2-fluorophenyl)methanol;2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[(4-chloro-2-fluorophenyl)methoxy]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine;2,4-dichloropyrimidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of tert-butyl 4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl formate;2-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidine;(4-chloro-2-fluorophenyl)methanol;2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[(4-chloro-2-fluorophenyl)methoxy]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine;2,4-dichloropyrimidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine (CID 157069837) is tert-butyl 4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl formate;2-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidine;(4-chloro-2-fluorophenyl)methanol;2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[(4-chloro-2-fluorophenyl)methoxy]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine;2,4-dichloropyrimidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for tert-butyl 4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl formate;2-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidine;(4-chloro-2-fluorophenyl)methanol;2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[(4-chloro-2-fluorophenyl)methoxy]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine;2,4-dichloropyrimidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for tert-butyl 4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl formate;2-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidine;(4-chloro-2-fluorophenyl)methanol;2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[(4-chloro-2-fluorophenyl)methoxy]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine;2,4-dichloropyrimidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine is CC(C)(C)OC(=O)N1CC=C(c2nccc(OCc3ccc(Cl)cc3F)n2)CC1.CC(C)(C)OC(=O)c1ccc2nc(CCl)n(C[C@@H]3CCO3)c2c1.CC(C)(C)OC(=O)c1ccc2nc(CN3CC=C(c4nccc(OCc5ccc(Cl)cc5F)n4)CC3)n(C[C@@H]3CCO3)c2c1.CC(C)(C)OC=O.CC1(C)OB(C2=CCNCC2)OC1(C)C.Clc1ccnc(Cl)n1.Fc1cc(Cl)ccc1COc1ccnc(C2=CCNCC2)n1.Fc1cc(Cl)ccc1COc1ccnc(Cl)n1.O=C(O)c1ccc2nc(CN3CC=C(c4nccc(OCc5ccc(Cl)cc5F)n4)CC3)n(C[C@@H]3CCO3)c2c1.OCc1ccc(Cl)cc1F.
What is the InChIKey of tert-butyl 4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl formate;2-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidine;(4-chloro-2-fluorophenyl)methanol;2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[(4-chloro-2-fluorophenyl)methoxy]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine;2,4-dichloropyrimidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is ACHJYATWQQKXGB-DNEXSIIQSA-N. The full InChI is InChI=1S/C33H35ClFN5O4.C29H27ClFN5O4.C21H23ClFN3O3.C17H21ClN2O3.C16H15ClFN3O.C11H20BNO2.C11H7Cl2FN2O.C7H6ClFO.C5H10O2.C4H2Cl2N2/c1-33(2,3)44-32(41)22-5-7-27-28(16-22)40(18-25-11-15-42-25)29(37-27)19-39-13-9-21(10-14-39)31-36-12-8-30(38-31)43-20-23-4-6-24(34)17-26(23)35;30-21-3-1-20(23(31)14-21)17-40-27-5-9-32-28(34-27)18-6-10-35(11-7-18)16-26-33-24-4-2-19(29(37)38)13-25(24)36(26)15-22-8-12-39-22;1-21(2,3)29-20(27)26-10-7-14(8-11-26)19-24-9-6-18(25-19)28-13-15-4-5-16(22)12-17(15)23;1-17(2,3)23-16(21)11-4-5-13-14(8-11)20(15(9-18)19-13)10-12-6-7-22-12;17-13-2-1-12(14(18)9-13)10-22-15-5-8-20-16(21-15)11-3-6-19-7-4-11;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;12-8-2-1-7(9(14)5-8)6-17-10-3-4-15-11(13)16-10;8-6-2-1-5(4-10)7(9)3-6;1-5(2,3)7-4-6;5-3-1-2-7-4(6)8-3/h4-9,12,16-17,25H,10-11,13-15,18-20H2,1-3H3;1-6,9,13-14,22H,7-8,10-12,15-17H2,(H,37,38);4-7,9,12H,8,10-11,13H2,1-3H3;4-5,8,12H,6-7,9-10H2,1-3H3;1-3,5,8-9,19H,4,6-7,10H2;5,13H,6-8H2,1-4H3;1-5H,6H2;1-3,10H,4H2;4H,1-3H3;1-2H/t25-;22-;;12-;;;;;;/m00.0....../s1.
What are the key properties of tert-butyl 4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl formate;2-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidine;(4-chloro-2-fluorophenyl)methanol;2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[(4-chloro-2-fluorophenyl)methoxy]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine;2,4-dichloropyrimidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine?
tert-butyl 4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl formate;2-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidine;(4-chloro-2-fluorophenyl)methanol;2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[(4-chloro-2-fluorophenyl)methoxy]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine;2,4-dichloropyrimidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 3154.49 g/mol, XLogP of 32.57, 36 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl formate;2-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidine;(4-chloro-2-fluorophenyl)methanol;2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[(4-chloro-2-fluorophenyl)methoxy]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine;2,4-dichloropyrimidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 157069837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).