4-bromo-1-methylimidazole-2-carbaldehyde;2-but-3-enyl-1,8-naphthyridine;ethene;ethyl 3-(4-bromo-1-methylimidazol-2-yl)-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (E)-3-(4-bromo-1-methylimidazol-2-yl)prop-2-enoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[(E)-4-(1,8-naphthyridin-2-yl)but-1-enyl]imidazol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoate;(3-fluoro-4-methoxyphenyl)boronic acid;3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoic acid

C133H153BBr3F5N20O18 — CID 158100610

IUPAC4-bromo-1-methylimidazole-2-carbaldehyde;2-but-3-enyl-1,8-naphthyridine;ethene;ethyl 3-(4-bromo-1-methylimidazol-2-yl)-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (E)-3-(4-bromo-1-methylimidazol-2-yl)prop-2-enoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[(E)-4-(1,8-naphthyridin-2-yl)but-1-enyl]imidazol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoate;(3-fluoro-4-methoxyphenyl)boronic acid;3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoic acid
SMILESC=C.C=CCCc1ccc2cccnc2n1.CCOC(=O)/C=C/c1nc(Br)cn1C.CCOC(=O)CC(c1ccc(OC)c(F)c1)c1nc(/C=C/CCc2ccc3cccnc3n2)cn1C.CCOC(=O)CC(c1ccc(OC)c(F)c1)c1nc(Br)cn1C.CCOC(=O)CC(c1ccc(OC)c(F)c1)c1nc(CCCCc2ccc3c(n2)NCCC3)cn1C.COc1ccc(B(O)O)cc1F.COc1ccc(C(CC(=O)O)c2nc(CCCCc3ccc4c(n3)NCCC4)cn2C)cc1F.Cn1cc(Br)nc1C=O
InChIInChI=1S/C28H35FN4O3.C28H29FN4O3.C26H31FN4O3.C16H18BrFN2O3.C12H12N2.C9H11BrN2O2.C7H8BFO3.C5H5BrN2O.C2H4/c2*1-4-36-26(34)17-23(20-12-14-25(35-3)24(29)16-20)28-32-22(18-33(28)2)10-6-5-9-21-13-11-19-8-7-15-30-27(19)31-21;1-31-16-20(8-4-3-7-19-11-9-17-6-5-13-28-25(17)29-19)30-26(31)21(15-24(32)33)18-10-12-23(34-2)22(27)14-18;1-4-23-15(21)8-11(16-19-14(17)9-20(16)2)10-5-6-13(22-3)12(18)7-10;1-2-3-6-11-8-7-10-5-4-9-13-12(10)14-11;1-3-14-9(13)5-4-8-11-7(10)6-12(8)2;1-12-7-3-2-5(8(10)11)4-6(7)9;1-8-2-4(6)7-5(8)3-9;1-2/h11-14,16,18,23H,4-10,15,17H2,1-3H3,(H,30,31);6-8,10-16,18,23H,4-5,9,17H2,1-3H3;9-12,14,16,21H,3-8,13,15H2,1-2H3,(H,28,29)(H,32,33);5-7,9,11H,4,8H2,1-3H3;2,4-5,7-9H,1,3,6H2;4-6H,3H2,1-2H3;2-4,10-11H,1H3;2-3H,1H3;1-2H2/b;10-6+;;;;5-4+;;;
InChIKeyFPFDRNRZAPLRPE-JWKRZJEHSA-N
MW2665.32 g/mol
LogP23.94
Rot. Bonds46

About 4-bromo-1-methylimidazole-2-carbaldehyde;2-but-3-enyl-1,8-naphthyridine;ethene;ethyl 3-(4-bromo-1-methylimidazol-2-yl)-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (E)-3-(4-bromo-1-methylimidazol-2-yl)prop-2-enoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[(E)-4-(1,8-naphthyridin-2-yl)but-1-enyl]imidazol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoate;(3-fluoro-4-methoxyphenyl)boronic acid;3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoic acid

4-bromo-1-methylimidazole-2-carbaldehyde;2-but-3-enyl-1,8-naphthyridine;ethene;ethyl 3-(4-bromo-1-methylimidazol-2-yl)-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (E)-3-(4-bromo-1-methylimidazol-2-yl)prop-2-enoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[(E)-4-(1,8-naphthyridin-2-yl)but-1-enyl]imidazol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoate;(3-fluoro-4-methoxyphenyl)boronic acid;3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoic acid (PubChem CID 158100610) has the molecular formula C133H153BBr3F5N20O18 and a molecular weight of 2665.32 g/mol. Its IUPAC name is 4-bromo-1-methylimidazole-2-carbaldehyde;2-but-3-enyl-1,8-naphthyridine;ethene;ethyl 3-(4-bromo-1-methylimidazol-2-yl)-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (E)-3-(4-bromo-1-methylimidazol-2-yl)prop-2-enoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[(E)-4-(1,8-naphthyridin-2-yl)but-1-enyl]imidazol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoate;(3-fluoro-4-methoxyphenyl)boronic acid;3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoic acid.

Molecular Properties

Compound Name4-bromo-1-methylimidazole-2-carbaldehyde;2-but-3-enyl-1,8-naphthyridine;ethene;ethyl 3-(4-bromo-1-methylimidazol-2-yl)-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (E)-3-(4-bromo-1-methylimidazol-2-yl)prop-2-enoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[(E)-4-(1,8-naphthyridin-2-yl)but-1-enyl]imidazol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoate;(3-fluoro-4-methoxyphenyl)boronic acid;3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoic acid
PubChem CID158100610
Molecular FormulaC133H153BBr3F5N20O18
Molecular Weight2665.32 g/mol
Exact Mass2660.92
IUPAC Name4-bromo-1-methylimidazole-2-carbaldehyde;2-but-3-enyl-1,8-naphthyridine;ethene;ethyl 3-(4-bromo-1-methylimidazol-2-yl)-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (E)-3-(4-bromo-1-methylimidazol-2-yl)prop-2-enoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[(E)-4-(1,8-naphthyridin-2-yl)but-1-enyl]imidazol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoate;(3-fluoro-4-methoxyphenyl)boronic acid;3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoic acid
SMILESC=C.C=CCCc1ccc2cccnc2n1.CCOC(=O)/C=C/c1nc(Br)cn1C.CCOC(=O)CC(c1ccc(OC)c(F)c1)c1nc(/C=C/CCc2ccc3cccnc3n2)cn1C.CCOC(=O)CC(c1ccc(OC)c(F)c1)c1nc(Br)cn1C.CCOC(=O)CC(c1ccc(OC)c(F)c1)c1nc(CCCCc2ccc3c(n2)NCCC3)cn1C.COc1ccc(B(O)O)cc1F.COc1ccc(C(CC(=O)O)c2nc(CCCCc3ccc4c(n3)NCCC4)cn2C)cc1F.Cn1cc(Br)nc1C=O
InChIInChI=1S/C28H35FN4O3.C28H29FN4O3.C26H31FN4O3.C16H18BrFN2O3.C12H12N2.C9H11BrN2O2.C7H8BFO3.C5H5BrN2O.C2H4/c2*1-4-36-26(34)17-23(20-12-14-25(35-3)24(29)16-20)28-32-22(18-33(28)2)10-6-5-9-21-13-11-19-8-7-15-30-27(19)31-21;1-31-16-20(8-4-3-7-19-11-9-17-6-5-13-28-25(17)29-19)30-26(31)21(15-24(32)33)18-10-12-23(34-2)22(27)14-18;1-4-23-15(21)8-11(16-19-14(17)9-20(16)2)10-5-6-13(22-3)12(18)7-10;1-2-3-6-11-8-7-10-5-4-9-13-12(10)14-11;1-3-14-9(13)5-4-8-11-7(10)6-12(8)2;1-12-7-3-2-5(8(10)11)4-6(7)9;1-8-2-4(6)7-5(8)3-9;1-2/h11-14,16,18,23H,4-10,15,17H2,1-3H3,(H,30,31);6-8,10-16,18,23H,4-5,9,17H2,1-3H3;9-12,14,16,21H,3-8,13,15H2,1-2H3,(H,28,29)(H,32,33);5-7,9,11H,4,8H2,1-3H3;2,4-5,7-9H,1,3,6H2;4-6H,3H2,1-2H3;2-4,10-11H,1H3;2-3H,1H3;1-2H2/b;10-6+;;;;5-4+;;;
InChIKeyFPFDRNRZAPLRPE-JWKRZJEHSA-N
XLogP23.94
TPSA454.50 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds46
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002665.32
LogP ≤ 523.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-bromo-1-methylimidazole-2-carbaldehyde;2-but-3-enyl-1,8-naphthyridine;ethene;ethyl 3-(4-bromo-1-methylimidazol-2-yl)-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (E)-3-(4-bromo-1-methylimidazol-2-yl)prop-2-enoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[(E)-4-(1,8-naphthyridin-2-yl)but-1-enyl]imidazol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoate;(3-fluoro-4-methoxyphenyl)boronic acid;3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoic acid with MolForge

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Related Compounds

ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoate
CID 134499433
3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(1,8-naphthyridin-2-yl)but-1-enyl]imidazol-2-yl]propanoic acid
CID 134498620
(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoic acid
CID 139433448
(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1H-pyrazol-3-yl]propanoic acid
CID 134501412
(3R)-3-(3-fluoro-4-methoxyphenyl)-3-[5-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-1,3-thiazol-2-yl]propanoic acid
CID 134501512
3-(3-fluoro-4-methoxyphenyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid
CID 134499430
ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate
CID 134512878
(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]azetidin-3-yl]amino]propanoic acid
CID 134500120
(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[2-oxo-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]azetidin-1-yl]propanoic acid
CID 139450744
methyl (E,3R)-3-(3-fluoro-4-phenylmethoxyphenyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate
CID 154643167
3-(3-fluoro-4-methoxyphenyl)-3-[(3R)-2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]azetidin-1-yl]propanoic acid
CID 134500281
ethyl (3S)-3-(3-fluoro-4-hydroxyphenyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate;methane;methanol;oxolane
CID 165072456

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methylimidazole-2-carbaldehyde;2-but-3-enyl-1,8-naphthyridine;ethene;ethyl 3-(4-bromo-1-methylimidazol-2-yl)-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (E)-3-(4-bromo-1-methylimidazol-2-yl)prop-2-enoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[(E)-4-(1,8-naphthyridin-2-yl)but-1-enyl]imidazol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoate;(3-fluoro-4-methoxyphenyl)boronic acid;3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoic acid?
The IUPAC name of 4-bromo-1-methylimidazole-2-carbaldehyde;2-but-3-enyl-1,8-naphthyridine;ethene;ethyl 3-(4-bromo-1-methylimidazol-2-yl)-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (E)-3-(4-bromo-1-methylimidazol-2-yl)prop-2-enoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[(E)-4-(1,8-naphthyridin-2-yl)but-1-enyl]imidazol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoate;(3-fluoro-4-methoxyphenyl)boronic acid;3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoic acid (CID 158100610) is 4-bromo-1-methylimidazole-2-carbaldehyde;2-but-3-enyl-1,8-naphthyridine;ethene;ethyl 3-(4-bromo-1-methylimidazol-2-yl)-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (E)-3-(4-bromo-1-methylimidazol-2-yl)prop-2-enoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[(E)-4-(1,8-naphthyridin-2-yl)but-1-enyl]imidazol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoate;(3-fluoro-4-methoxyphenyl)boronic acid;3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoic acid.
What is the SMILES notation for 4-bromo-1-methylimidazole-2-carbaldehyde;2-but-3-enyl-1,8-naphthyridine;ethene;ethyl 3-(4-bromo-1-methylimidazol-2-yl)-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (E)-3-(4-bromo-1-methylimidazol-2-yl)prop-2-enoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[(E)-4-(1,8-naphthyridin-2-yl)but-1-enyl]imidazol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoate;(3-fluoro-4-methoxyphenyl)boronic acid;3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoic acid?
The canonical SMILES for 4-bromo-1-methylimidazole-2-carbaldehyde;2-but-3-enyl-1,8-naphthyridine;ethene;ethyl 3-(4-bromo-1-methylimidazol-2-yl)-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (E)-3-(4-bromo-1-methylimidazol-2-yl)prop-2-enoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[(E)-4-(1,8-naphthyridin-2-yl)but-1-enyl]imidazol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoate;(3-fluoro-4-methoxyphenyl)boronic acid;3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoic acid is C=C.C=CCCc1ccc2cccnc2n1.CCOC(=O)/C=C/c1nc(Br)cn1C.CCOC(=O)CC(c1ccc(OC)c(F)c1)c1nc(/C=C/CCc2ccc3cccnc3n2)cn1C.CCOC(=O)CC(c1ccc(OC)c(F)c1)c1nc(Br)cn1C.CCOC(=O)CC(c1ccc(OC)c(F)c1)c1nc(CCCCc2ccc3c(n2)NCCC3)cn1C.COc1ccc(B(O)O)cc1F.COc1ccc(C(CC(=O)O)c2nc(CCCCc3ccc4c(n3)NCCC4)cn2C)cc1F.Cn1cc(Br)nc1C=O.
What is the InChIKey of 4-bromo-1-methylimidazole-2-carbaldehyde;2-but-3-enyl-1,8-naphthyridine;ethene;ethyl 3-(4-bromo-1-methylimidazol-2-yl)-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (E)-3-(4-bromo-1-methylimidazol-2-yl)prop-2-enoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[(E)-4-(1,8-naphthyridin-2-yl)but-1-enyl]imidazol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoate;(3-fluoro-4-methoxyphenyl)boronic acid;3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoic acid?
The InChIKey is FPFDRNRZAPLRPE-JWKRZJEHSA-N. The full InChI is InChI=1S/C28H35FN4O3.C28H29FN4O3.C26H31FN4O3.C16H18BrFN2O3.C12H12N2.C9H11BrN2O2.C7H8BFO3.C5H5BrN2O.C2H4/c2*1-4-36-26(34)17-23(20-12-14-25(35-3)24(29)16-20)28-32-22(18-33(28)2)10-6-5-9-21-13-11-19-8-7-15-30-27(19)31-21;1-31-16-20(8-4-3-7-19-11-9-17-6-5-13-28-25(17)29-19)30-26(31)21(15-24(32)33)18-10-12-23(34-2)22(27)14-18;1-4-23-15(21)8-11(16-19-14(17)9-20(16)2)10-5-6-13(22-3)12(18)7-10;1-2-3-6-11-8-7-10-5-4-9-13-12(10)14-11;1-3-14-9(13)5-4-8-11-7(10)6-12(8)2;1-12-7-3-2-5(8(10)11)4-6(7)9;1-8-2-4(6)7-5(8)3-9;1-2/h11-14,16,18,23H,4-10,15,17H2,1-3H3,(H,30,31);6-8,10-16,18,23H,4-5,9,17H2,1-3H3;9-12,14,16,21H,3-8,13,15H2,1-2H3,(H,28,29)(H,32,33);5-7,9,11H,4,8H2,1-3H3;2,4-5,7-9H,1,3,6H2;4-6H,3H2,1-2H3;2-4,10-11H,1H3;2-3H,1H3;1-2H2/b;10-6+;;;;5-4+;;;.
What are the key properties of 4-bromo-1-methylimidazole-2-carbaldehyde;2-but-3-enyl-1,8-naphthyridine;ethene;ethyl 3-(4-bromo-1-methylimidazol-2-yl)-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (E)-3-(4-bromo-1-methylimidazol-2-yl)prop-2-enoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[(E)-4-(1,8-naphthyridin-2-yl)but-1-enyl]imidazol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoate;(3-fluoro-4-methoxyphenyl)boronic acid;3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoic acid?
4-bromo-1-methylimidazole-2-carbaldehyde;2-but-3-enyl-1,8-naphthyridine;ethene;ethyl 3-(4-bromo-1-methylimidazol-2-yl)-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (E)-3-(4-bromo-1-methylimidazol-2-yl)prop-2-enoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[(E)-4-(1,8-naphthyridin-2-yl)but-1-enyl]imidazol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoate;(3-fluoro-4-methoxyphenyl)boronic acid;3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoic acid has a molecular weight of 2665.32 g/mol, XLogP of 23.94, 46 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methylimidazole-2-carbaldehyde;2-but-3-enyl-1,8-naphthyridine;ethene;ethyl 3-(4-bromo-1-methylimidazol-2-yl)-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (E)-3-(4-bromo-1-methylimidazol-2-yl)prop-2-enoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[(E)-4-(1,8-naphthyridin-2-yl)but-1-enyl]imidazol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoate;(3-fluoro-4-methoxyphenyl)boronic acid;3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoic acid is sourced from PubChem (CID 158100610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).