5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid;propan-2-yl 3-[2-acetyloxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4,6-dibromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate

C130H135Br6F7N12O26 — CID 158754009

IUPAC5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid;propan-2-yl 3-[2-acetyloxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4,6-dibromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
SMILESCC(=O)OCCN(C(=O)OC(C)(C)C)c1c(C(=O)OC(C)C)nc(Br)c(Cc2ccc(F)cc2)c1Br.CC(C)OC(=O)c1nc(Br)c(Cc2ccc(F)cc2)c(Br)c1N.CC(C)OC(=O)c1nc(Br)c(Cc2ccc(F)cc2)c(Br)c1NC(=O)OC(C)(C)C.CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)cc1C(=O)O.CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)cc1N.CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)cc1NC(=O)OC(C)(C)C.O=C(O)c1cc(Cc2ccc(F)cc2)cnc1C(=O)O
InChIInChI=1S/C25H29Br2FN2O6.C21H23Br2FN2O4.C21H25FN2O4.C17H16FNO4.C16H15Br2FN2O2.C16H17FN2O2.C14H10FNO4/c1-14(2)35-23(32)20-21(30(11-12-34-15(3)31)24(33)36-25(4,5)6)19(26)18(22(27)29-20)13-16-7-9-17(28)10-8-16;1-11(2)29-19(27)17-16(26-20(28)30-21(3,4)5)15(22)14(18(23)25-17)10-12-6-8-13(24)9-7-12;1-13(2)27-19(25)18-17(24-20(26)28-21(3,4)5)11-15(12-23-18)10-14-6-8-16(22)9-7-14;1-10(2)23-17(22)15-14(16(20)21)8-12(9-19-15)7-11-3-5-13(18)6-4-11;1-8(2)23-16(22)14-13(20)12(17)11(15(18)21-14)7-9-3-5-10(19)6-4-9;1-10(2)21-16(20)15-14(18)8-12(9-19-15)7-11-3-5-13(17)6-4-11;15-10-3-1-8(2-4-10)5-9-6-11(13(17)18)12(14(19)20)16-7-9/h7-10,14H,11-13H2,1-6H3;6-9,11H,10H2,1-5H3,(H,26,28);6-9,11-13H,10H2,1-5H3,(H,24,26);3-6,8-10H,7H2,1-2H3,(H,20,21);3-6,8H,7,20H2,1-2H3;3-6,8-10H,7,18H2,1-2H3;1-4,6-7H,5H2,(H,17,18)(H,19,20)
InChIKeyINVJBQSWOQNOLC-UHFFFAOYSA-N
MW2893.98 g/mol
LogP29.90
Rot. Bonds35

About 5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid;propan-2-yl 3-[2-acetyloxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4,6-dibromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate

5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid;propan-2-yl 3-[2-acetyloxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4,6-dibromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate (PubChem CID 158754009) has the molecular formula C130H135Br6F7N12O26 and a molecular weight of 2893.98 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid;propan-2-yl 3-[2-acetyloxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4,6-dibromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid;propan-2-yl 3-[2-acetyloxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4,6-dibromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
PubChem CID158754009
Molecular FormulaC130H135Br6F7N12O26
Molecular Weight2893.98 g/mol
Exact Mass2886.46
IUPAC Name5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid;propan-2-yl 3-[2-acetyloxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4,6-dibromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
SMILESCC(=O)OCCN(C(=O)OC(C)(C)C)c1c(C(=O)OC(C)C)nc(Br)c(Cc2ccc(F)cc2)c1Br.CC(C)OC(=O)c1nc(Br)c(Cc2ccc(F)cc2)c(Br)c1N.CC(C)OC(=O)c1nc(Br)c(Cc2ccc(F)cc2)c(Br)c1NC(=O)OC(C)(C)C.CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)cc1C(=O)O.CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)cc1N.CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)cc1NC(=O)OC(C)(C)C.O=C(O)c1cc(Cc2ccc(F)cc2)cnc1C(=O)O
InChIInChI=1S/C25H29Br2FN2O6.C21H23Br2FN2O4.C21H25FN2O4.C17H16FNO4.C16H15Br2FN2O2.C16H17FN2O2.C14H10FNO4/c1-14(2)35-23(32)20-21(30(11-12-34-15(3)31)24(33)36-25(4,5)6)19(26)18(22(27)29-20)13-16-7-9-17(28)10-8-16;1-11(2)29-19(27)17-16(26-20(28)30-21(3,4)5)15(22)14(18(23)25-17)10-12-6-8-13(24)9-7-12;1-13(2)27-19(25)18-17(24-20(26)28-21(3,4)5)11-15(12-23-18)10-14-6-8-16(22)9-7-14;1-10(2)23-17(22)15-14(16(20)21)8-12(9-19-15)7-11-3-5-13(18)6-4-11;1-8(2)23-16(22)14-13(20)12(17)11(15(18)21-14)7-9-3-5-10(19)6-4-9;1-10(2)21-16(20)15-14(18)8-12(9-19-15)7-11-3-5-13(17)6-4-11;15-10-3-1-8(2-4-10)5-9-6-11(13(17)18)12(14(19)20)16-7-9/h7-10,14H,11-13H2,1-6H3;6-9,11H,10H2,1-5H3,(H,26,28);6-9,11-13H,10H2,1-5H3,(H,24,26);3-6,8-10H,7H2,1-2H3,(H,20,21);3-6,8H,7,20H2,1-2H3;3-6,8-10H,7,18H2,1-2H3;1-4,6-7H,5H2,(H,17,18)(H,19,20)
InChIKeyINVJBQSWOQNOLC-UHFFFAOYSA-N
XLogP29.90
TPSA544.47 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds35
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002893.98
LogP ≤ 529.90
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid;propan-2-yl 3-[2-acetyloxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4,6-dibromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate with MolForge

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Related Compounds

tert-butyl 5-bromopyridine-2-carboxylate;tert-butyl 5-pyrazin-2-ylpyridine-2-carboxylate;methane;palladium;bis(5-pyrazin-2-ylpyridine-2-carboxylic acid);5-pyrazin-2-yl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide;tributyl(pyrazin-2-yl)stannane;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;tetrakis(triphenylphosphane)
CID 157134852
Sodium;1-(bromomethyl)-4-methylbenzene;tert-butyl 4-[(4-fluorophenyl)methyl]-3-oxopiperazine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydropyrazino[1,2-g][1,6]naphthyridine-5,10-dione;1-[(4-fluorophenyl)methyl]piperazin-2-one;methanolate;piperazin-2-one;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3-oxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate
CID 157756898
Sodium;1-(bromomethyl)-4-methylbenzene;tert-butyl 4-[(4-fluorophenyl)methyl]-3-oxopiperazine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydropyrazino[1,2-g][1,6]naphthyridine-5,10-dione;1-[(4-fluorophenyl)methyl]piperazin-4-ium-2-one;methanolate;piperazin-2-one;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3-oxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate
CID 157756899
sodium;tert-butyl 4-[6-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methylcarbamoyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;[6-[2-(difluoromethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methanamine;N-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-piperazin-1-ylpyridine-2-carboxamide;methane;methyl 5-bromopyridine-2-carboxylate;methyl carbonochloridate;methyl 4-[6-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methylcarbamoyl]-3-pyridinyl]piperazine-1-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid;hydroxide
CID 158722630
Sodium;1-(bromomethyl)-4-fluorobenzene;tert-butyl 4-[(4-fluorophenyl)methyl]-3-oxopiperazine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydropyrazino[1,2-g][1,6]naphthyridine-5,10-dione;1-[(4-fluorophenyl)methyl]piperazin-2-one;methane;methanolate;piperazin-2-one;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3-oxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate
CID 161471206
Sodium;1-(bromomethyl)-4-fluorobenzene;tert-butyl 4-[(4-fluorophenyl)methyl]-3-oxopiperazine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydropyrazino[1,2-g][1,6]naphthyridine-5,10-dione;1-[(4-fluorophenyl)methyl]piperazin-2-one;methanolate;piperazin-2-one;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3-oxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate
CID 161486227
2-(2-Amino-5-phenylphenyl)-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 157473886
CID 157998301
CID 157998301
3-Bromoprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;propan-2-yl 4-bromo-3-[(3-ethoxy-3-oxopropanoyl)-prop-2-enylamino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(prop-2-enylamino)pyridine-2-carboxylate
CID 158035559
1-O-tert-butyl 7-O-propan-2-yl 5-bromo-4-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[2,3-c]pyridine-1,7-dicarboxylate;1-O-tert-butyl 7-O-propan-2-yl 4-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[2,3-c]pyridine-1,7-dicarboxylate;propan-2-yl 4,6-dibromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4,6-dibromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylprop-2-enyl)amino]pyridine-2-carboxylate;propan-2-yl 4-[(4-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine-7-carboxylate
CID 158343575
bis(5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid);5-bromo-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;tert-butyl N-[(4S)-4-(5-amino-2-fluorophenyl)-6-(fluoromethyl)-4-methyl-1,3-oxazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;propan-2-yl 5-bromo-3-(difluoromethyl)pyridine-2-carboxylate;propan-2-yl 5-bromo-3-formylpyridine-2-carboxylate;propan-2-yl 5-bromo-3-(hydroxymethyl)pyridine-2-carboxylate
CID 158357932
1-O-tert-butyl 8-O-propan-2-yl 5-[(4-fluorophenyl)methyl]-2-hydroxy-3,4-dihydro-2H-1,7-naphthyridine-1,8-dicarboxylate;ethyl 8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxylate;8-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,6-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 1-(3-ethoxy-3-oxopropanoyl)-5-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,7-naphthyridine-8-carboxylate;propan-2-yl 5-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,7-naphthyridine-8-carboxylate
CID 158545051

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid;propan-2-yl 3-[2-acetyloxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4,6-dibromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid;propan-2-yl 3-[2-acetyloxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4,6-dibromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate (CID 158754009) is 5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid;propan-2-yl 3-[2-acetyloxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4,6-dibromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid;propan-2-yl 3-[2-acetyloxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4,6-dibromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid;propan-2-yl 3-[2-acetyloxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4,6-dibromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate is CC(=O)OCCN(C(=O)OC(C)(C)C)c1c(C(=O)OC(C)C)nc(Br)c(Cc2ccc(F)cc2)c1Br.CC(C)OC(=O)c1nc(Br)c(Cc2ccc(F)cc2)c(Br)c1N.CC(C)OC(=O)c1nc(Br)c(Cc2ccc(F)cc2)c(Br)c1NC(=O)OC(C)(C)C.CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)cc1C(=O)O.CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)cc1N.CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)cc1NC(=O)OC(C)(C)C.O=C(O)c1cc(Cc2ccc(F)cc2)cnc1C(=O)O.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid;propan-2-yl 3-[2-acetyloxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4,6-dibromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?
The InChIKey is INVJBQSWOQNOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Br2FN2O6.C21H23Br2FN2O4.C21H25FN2O4.C17H16FNO4.C16H15Br2FN2O2.C16H17FN2O2.C14H10FNO4/c1-14(2)35-23(32)20-21(30(11-12-34-15(3)31)24(33)36-25(4,5)6)19(26)18(22(27)29-20)13-16-7-9-17(28)10-8-16;1-11(2)29-19(27)17-16(26-20(28)30-21(3,4)5)15(22)14(18(23)25-17)10-12-6-8-13(24)9-7-12;1-13(2)27-19(25)18-17(24-20(26)28-21(3,4)5)11-15(12-23-18)10-14-6-8-16(22)9-7-14;1-10(2)23-17(22)15-14(16(20)21)8-12(9-19-15)7-11-3-5-13(18)6-4-11;1-8(2)23-16(22)14-13(20)12(17)11(15(18)21-14)7-9-3-5-10(19)6-4-9;1-10(2)21-16(20)15-14(18)8-12(9-19-15)7-11-3-5-13(17)6-4-11;15-10-3-1-8(2-4-10)5-9-6-11(13(17)18)12(14(19)20)16-7-9/h7-10,14H,11-13H2,1-6H3;6-9,11H,10H2,1-5H3,(H,26,28);6-9,11-13H,10H2,1-5H3,(H,24,26);3-6,8-10H,7H2,1-2H3,(H,20,21);3-6,8H,7,20H2,1-2H3;3-6,8-10H,7,18H2,1-2H3;1-4,6-7H,5H2,(H,17,18)(H,19,20).
What are the key properties of 5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid;propan-2-yl 3-[2-acetyloxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4,6-dibromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?
5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid;propan-2-yl 3-[2-acetyloxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4,6-dibromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate has a molecular weight of 2893.98 g/mol, XLogP of 29.90, 35 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid;propan-2-yl 3-[2-acetyloxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4,6-dibromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate is sourced from PubChem (CID 158754009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).