tert-butyl 4-(5-bromo-2,4-difluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-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 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)methanol;2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-1,2,3,6-tetrahydropyridine;1,5-dibromo-2,4-difluorobenzene

C169H175BBr3Cl6F17N12O22 — CID 162120372

IUPACtert-butyl 4-(5-bromo-2,4-difluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-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 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)methanol;2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-1,2,3,6-tetrahydropyridine;1,5-dibromo-2,4-difluorobenzene
SMILESCC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2cc(Br)c(F)cc2F)CC1.CC(C)(C)OC(=O)N1CC=C(c2cc(OCc3ccc(Cl)cc3F)c(F)cc2F)CC1.CC(C)(C)OC(=O)c1ccc2nc(CCl)n(C[C@@H]3CCO3)c2c1.CC(C)(C)OC(=O)c1ccc2nc(CN3CC=C(c4cc(OCc5ccc(Cl)cc5F)c(F)cc4F)CC3)n(C[C@@H]3CCO3)c2c1.Fc1cc(Cl)ccc1COc1cc(C2=CCNCC2)c(F)cc1F.Fc1cc(F)c(Br)cc1Br.O=C(O)c1ccc2nc(CN3CC=C(c4cc(OCc5ccc(Cl)cc5F)c(F)cc4F)CC3)n(C[C@@H]3CCO3)c2c1.OCc1ccc(Cl)cc1F
InChIInChI=1S/C35H35ClF3N3O4.C31H27ClF3N3O4.C23H23ClF3NO3.C18H15ClF3NO.C17H21ClN2O3.C16H28BNO4.C16H18BrF2NO2.C7H6ClFO.C6H2Br2F2/c1-35(2,3)46-34(43)22-5-7-30-31(14-22)42(18-25-10-13-44-25)33(40-30)19-41-11-8-21(9-12-41)26-16-32(29(39)17-28(26)38)45-20-23-4-6-24(36)15-27(23)37;32-21-3-1-20(24(33)12-21)17-42-29-13-23(25(34)14-26(29)35)18-5-8-37(9-6-18)16-30-36-27-4-2-19(31(39)40)11-28(27)38(30)15-22-7-10-41-22;1-23(2,3)31-22(29)28-8-6-14(7-9-28)17-11-21(20(27)12-19(17)26)30-13-15-4-5-16(24)10-18(15)25;19-13-2-1-12(15(20)7-13)10-24-18-8-14(16(21)9-17(18)22)11-3-5-23-6-4-11;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;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-16(2,3)22-15(21)20-6-4-10(5-7-20)11-8-12(17)14(19)9-13(11)18;8-6-2-1-5(4-10)7(9)3-6;7-3-1-4(8)6(10)2-5(3)9/h4-8,14-17,25H,9-13,18-20H2,1-3H3;1-5,11-14,22H,6-10,15-17H2,(H,39,40);4-6,10-12H,7-9,13H2,1-3H3;1-3,7-9,23H,4-6,10H2;4-5,8,12H,6-7,9-10H2,1-3H3;8H,9-11H2,1-7H3;4,8-9H,5-7H2,1-3H3;1-3,10H,4H2;1-2H/t25-;22-;;;12-;;;;/m00..0..../s1
InChIKeyZHIFQSIRRRVKJZ-ISYFFYBNSA-N
MW3512.53 g/mol
LogP42.17
Rot. Bonds33

About tert-butyl 4-(5-bromo-2,4-difluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-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 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)methanol;2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-1,2,3,6-tetrahydropyridine;1,5-dibromo-2,4-difluorobenzene

tert-butyl 4-(5-bromo-2,4-difluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-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 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)methanol;2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-1,2,3,6-tetrahydropyridine;1,5-dibromo-2,4-difluorobenzene (PubChem CID 162120372) has the molecular formula C169H175BBr3Cl6F17N12O22 and a molecular weight of 3512.53 g/mol. Its IUPAC name is tert-butyl 4-(5-bromo-2,4-difluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-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 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)methanol;2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-1,2,3,6-tetrahydropyridine;1,5-dibromo-2,4-difluorobenzene.

Molecular Properties

Compound Nametert-butyl 4-(5-bromo-2,4-difluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-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 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)methanol;2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-1,2,3,6-tetrahydropyridine;1,5-dibromo-2,4-difluorobenzene
PubChem CID162120372
Molecular FormulaC169H175BBr3Cl6F17N12O22
Molecular Weight3512.53 g/mol
Exact Mass3504.84
IUPAC Nametert-butyl 4-(5-bromo-2,4-difluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-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 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)methanol;2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-1,2,3,6-tetrahydropyridine;1,5-dibromo-2,4-difluorobenzene
SMILESCC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2cc(Br)c(F)cc2F)CC1.CC(C)(C)OC(=O)N1CC=C(c2cc(OCc3ccc(Cl)cc3F)c(F)cc2F)CC1.CC(C)(C)OC(=O)c1ccc2nc(CCl)n(C[C@@H]3CCO3)c2c1.CC(C)(C)OC(=O)c1ccc2nc(CN3CC=C(c4cc(OCc5ccc(Cl)cc5F)c(F)cc4F)CC3)n(C[C@@H]3CCO3)c2c1.Fc1cc(Cl)ccc1COc1cc(C2=CCNCC2)c(F)cc1F.Fc1cc(F)c(Br)cc1Br.O=C(O)c1ccc2nc(CN3CC=C(c4cc(OCc5ccc(Cl)cc5F)c(F)cc4F)CC3)n(C[C@@H]3CCO3)c2c1.OCc1ccc(Cl)cc1F
InChIInChI=1S/C35H35ClF3N3O4.C31H27ClF3N3O4.C23H23ClF3NO3.C18H15ClF3NO.C17H21ClN2O3.C16H28BNO4.C16H18BrF2NO2.C7H6ClFO.C6H2Br2F2/c1-35(2,3)46-34(43)22-5-7-30-31(14-22)42(18-25-10-13-44-25)33(40-30)19-41-11-8-21(9-12-41)26-16-32(29(39)17-28(26)38)45-20-23-4-6-24(36)15-27(23)37;32-21-3-1-20(24(33)12-21)17-42-29-13-23(25(34)14-26(29)35)18-5-8-37(9-6-18)16-30-36-27-4-2-19(31(39)40)11-28(27)38(30)15-22-7-10-41-22;1-23(2,3)31-22(29)28-8-6-14(7-9-28)17-11-21(20(27)12-19(17)26)30-13-15-4-5-16(24)10-18(15)25;19-13-2-1-12(15(20)7-13)10-24-18-8-14(16(21)9-17(18)22)11-3-5-23-6-4-11;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;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-16(2,3)22-15(21)20-6-4-10(5-7-20)11-8-12(17)14(19)9-13(11)18;8-6-2-1-5(4-10)7(9)3-6;7-3-1-4(8)6(10)2-5(3)9/h4-8,14-17,25H,9-13,18-20H2,1-3H3;1-5,11-14,22H,6-10,15-17H2,(H,39,40);4-6,10-12H,7-9,13H2,1-3H3;1-3,7-9,23H,4-6,10H2;4-5,8,12H,6-7,9-10H2,1-3H3;8H,9-11H2,1-7H3;4,8-9H,5-7H2,1-3H3;1-3,10H,4H2;1-2H/t25-;22-;;;12-;;;;/m00..0..../s1
InChIKeyZHIFQSIRRRVKJZ-ISYFFYBNSA-N
XLogP42.17
TPSA353.79 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds33
Heavy Atoms230
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003512.53
LogP ≤ 542.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl 4-(5-bromo-2,4-difluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-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 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)methanol;2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-1,2,3,6-tetrahydropyridine;1,5-dibromo-2,4-difluorobenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-bromo-2,4-difluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-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 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)methanol;2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-1,2,3,6-tetrahydropyridine;1,5-dibromo-2,4-difluorobenzene?
The IUPAC name of tert-butyl 4-(5-bromo-2,4-difluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-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 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)methanol;2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-1,2,3,6-tetrahydropyridine;1,5-dibromo-2,4-difluorobenzene (CID 162120372) is tert-butyl 4-(5-bromo-2,4-difluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-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 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)methanol;2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-1,2,3,6-tetrahydropyridine;1,5-dibromo-2,4-difluorobenzene.
What is the SMILES notation for tert-butyl 4-(5-bromo-2,4-difluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-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 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)methanol;2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-1,2,3,6-tetrahydropyridine;1,5-dibromo-2,4-difluorobenzene?
The canonical SMILES for tert-butyl 4-(5-bromo-2,4-difluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-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 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)methanol;2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-1,2,3,6-tetrahydropyridine;1,5-dibromo-2,4-difluorobenzene is CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2cc(Br)c(F)cc2F)CC1.CC(C)(C)OC(=O)N1CC=C(c2cc(OCc3ccc(Cl)cc3F)c(F)cc2F)CC1.CC(C)(C)OC(=O)c1ccc2nc(CCl)n(C[C@@H]3CCO3)c2c1.CC(C)(C)OC(=O)c1ccc2nc(CN3CC=C(c4cc(OCc5ccc(Cl)cc5F)c(F)cc4F)CC3)n(C[C@@H]3CCO3)c2c1.Fc1cc(Cl)ccc1COc1cc(C2=CCNCC2)c(F)cc1F.Fc1cc(F)c(Br)cc1Br.O=C(O)c1ccc2nc(CN3CC=C(c4cc(OCc5ccc(Cl)cc5F)c(F)cc4F)CC3)n(C[C@@H]3CCO3)c2c1.OCc1ccc(Cl)cc1F.
What is the InChIKey of tert-butyl 4-(5-bromo-2,4-difluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-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 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)methanol;2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-1,2,3,6-tetrahydropyridine;1,5-dibromo-2,4-difluorobenzene?
The InChIKey is ZHIFQSIRRRVKJZ-ISYFFYBNSA-N. The full InChI is InChI=1S/C35H35ClF3N3O4.C31H27ClF3N3O4.C23H23ClF3NO3.C18H15ClF3NO.C17H21ClN2O3.C16H28BNO4.C16H18BrF2NO2.C7H6ClFO.C6H2Br2F2/c1-35(2,3)46-34(43)22-5-7-30-31(14-22)42(18-25-10-13-44-25)33(40-30)19-41-11-8-21(9-12-41)26-16-32(29(39)17-28(26)38)45-20-23-4-6-24(36)15-27(23)37;32-21-3-1-20(24(33)12-21)17-42-29-13-23(25(34)14-26(29)35)18-5-8-37(9-6-18)16-30-36-27-4-2-19(31(39)40)11-28(27)38(30)15-22-7-10-41-22;1-23(2,3)31-22(29)28-8-6-14(7-9-28)17-11-21(20(27)12-19(17)26)30-13-15-4-5-16(24)10-18(15)25;19-13-2-1-12(15(20)7-13)10-24-18-8-14(16(21)9-17(18)22)11-3-5-23-6-4-11;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;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-16(2,3)22-15(21)20-6-4-10(5-7-20)11-8-12(17)14(19)9-13(11)18;8-6-2-1-5(4-10)7(9)3-6;7-3-1-4(8)6(10)2-5(3)9/h4-8,14-17,25H,9-13,18-20H2,1-3H3;1-5,11-14,22H,6-10,15-17H2,(H,39,40);4-6,10-12H,7-9,13H2,1-3H3;1-3,7-9,23H,4-6,10H2;4-5,8,12H,6-7,9-10H2,1-3H3;8H,9-11H2,1-7H3;4,8-9H,5-7H2,1-3H3;1-3,10H,4H2;1-2H/t25-;22-;;;12-;;;;/m00..0..../s1.
What are the key properties of tert-butyl 4-(5-bromo-2,4-difluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-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 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)methanol;2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-1,2,3,6-tetrahydropyridine;1,5-dibromo-2,4-difluorobenzene?
tert-butyl 4-(5-bromo-2,4-difluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-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 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)methanol;2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-1,2,3,6-tetrahydropyridine;1,5-dibromo-2,4-difluorobenzene has a molecular weight of 3512.53 g/mol, XLogP of 42.17, 33 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-bromo-2,4-difluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-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 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)methanol;2-[[4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[5-[(4-chloro-2-fluorophenyl)methoxy]-2,4-difluorophenyl]-1,2,3,6-tetrahydropyridine;1,5-dibromo-2,4-difluorobenzene is sourced from PubChem (CID 162120372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).