1,4-dipyridin-2-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(furan-2-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-pyridazin-3-yl-4-pyridin-2-ylbutane-1,4-dione;bis(1-pyridin-2-yl-4-pyridin-3-ylbutane-1,4-dione);1-pyridin-2-yl-4-pyrimidin-2-ylbutane-1,4-dione;1-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione

C140H118F4N14O21S3 — CID 161009295

IUPAC1,4-dipyridin-2-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(furan-2-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-pyridazin-3-yl-4-pyridin-2-ylbutane-1,4-dione;bis(1-pyridin-2-yl-4-pyridin-3-ylbutane-1,4-dione);1-pyridin-2-yl-4-pyrimidin-2-ylbutane-1,4-dione;1-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione
SMILESCc1cccc(C(=O)CCC(=O)c2cccs2)c1.O=C(CCC(=O)c1ccccc1C(F)(F)F)c1cccs1.O=C(CCC(=O)c1ccccc1F)c1cccs1.O=C(CCC(=O)c1ccccn1)c1ccccc1.O=C(CCC(=O)c1ccccn1)c1ccccn1.O=C(CCC(=O)c1ccccn1)c1cccnc1.O=C(CCC(=O)c1ccccn1)c1cccnc1.O=C(CCC(=O)c1cccnn1)c1ccccn1.O=C(CCC(=O)c1ccco1)c1ccccn1.O=C(CCC(=O)c1ncccn1)c1ccccn1
InChIInChI=1S/C15H11F3O2S.C15H13NO2.C15H14O2S.C14H11FO2S.3C14H12N2O2.2C13H11N3O2.C13H11NO3/c16-15(17,18)11-5-2-1-4-10(11)12(19)7-8-13(20)14-6-3-9-21-14;17-14(12-6-2-1-3-7-12)9-10-15(18)13-8-4-5-11-16-13;1-11-4-2-5-12(10-11)13(16)7-8-14(17)15-6-3-9-18-15;15-11-5-2-1-4-10(11)12(16)7-8-13(17)14-6-3-9-18-14;17-13(11-5-1-3-9-15-11)7-8-14(18)12-6-2-4-10-16-12;2*17-13(11-4-3-8-15-10-11)6-7-14(18)12-5-1-2-9-16-12;17-11(10-4-1-2-7-14-10)5-6-12(18)13-15-8-3-9-16-13;17-12(10-4-1-2-8-14-10)6-7-13(18)11-5-3-9-15-16-11;15-11(10-4-1-2-8-14-10)6-7-12(16)13-5-3-9-17-13/h1-6,9H,7-8H2;1-8,11H,9-10H2;2-6,9-10H,7-8H2,1H3;1-6,9H,7-8H2;1-6,9-10H,7-8H2;2*1-5,8-10H,6-7H2;1-4,7-9H,5-6H2;1-5,8-9H,6-7H2;1-5,8-9H,6-7H2
InChIKeyTWXQBXFVAJCKLB-UHFFFAOYSA-N
MW2504.75 g/mol
LogP28.10
Rot. Bonds50

About 1,4-dipyridin-2-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(furan-2-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-pyridazin-3-yl-4-pyridin-2-ylbutane-1,4-dione;bis(1-pyridin-2-yl-4-pyridin-3-ylbutane-1,4-dione);1-pyridin-2-yl-4-pyrimidin-2-ylbutane-1,4-dione;1-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione

1,4-dipyridin-2-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(furan-2-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-pyridazin-3-yl-4-pyridin-2-ylbutane-1,4-dione;bis(1-pyridin-2-yl-4-pyridin-3-ylbutane-1,4-dione);1-pyridin-2-yl-4-pyrimidin-2-ylbutane-1,4-dione;1-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione (PubChem CID 161009295) has the molecular formula C140H118F4N14O21S3 and a molecular weight of 2504.75 g/mol. Its IUPAC name is 1,4-dipyridin-2-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(furan-2-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-pyridazin-3-yl-4-pyridin-2-ylbutane-1,4-dione;bis(1-pyridin-2-yl-4-pyridin-3-ylbutane-1,4-dione);1-pyridin-2-yl-4-pyrimidin-2-ylbutane-1,4-dione;1-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione.

Molecular Properties

Compound Name1,4-dipyridin-2-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(furan-2-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-pyridazin-3-yl-4-pyridin-2-ylbutane-1,4-dione;bis(1-pyridin-2-yl-4-pyridin-3-ylbutane-1,4-dione);1-pyridin-2-yl-4-pyrimidin-2-ylbutane-1,4-dione;1-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione
PubChem CID161009295
Molecular FormulaC140H118F4N14O21S3
Molecular Weight2504.75 g/mol
Exact Mass2502.77
IUPAC Name1,4-dipyridin-2-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(furan-2-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-pyridazin-3-yl-4-pyridin-2-ylbutane-1,4-dione;bis(1-pyridin-2-yl-4-pyridin-3-ylbutane-1,4-dione);1-pyridin-2-yl-4-pyrimidin-2-ylbutane-1,4-dione;1-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione
SMILESCc1cccc(C(=O)CCC(=O)c2cccs2)c1.O=C(CCC(=O)c1ccccc1C(F)(F)F)c1cccs1.O=C(CCC(=O)c1ccccc1F)c1cccs1.O=C(CCC(=O)c1ccccn1)c1ccccc1.O=C(CCC(=O)c1ccccn1)c1ccccn1.O=C(CCC(=O)c1ccccn1)c1cccnc1.O=C(CCC(=O)c1ccccn1)c1cccnc1.O=C(CCC(=O)c1cccnn1)c1ccccn1.O=C(CCC(=O)c1ccco1)c1ccccn1.O=C(CCC(=O)c1ncccn1)c1ccccn1
InChIInChI=1S/C15H11F3O2S.C15H13NO2.C15H14O2S.C14H11FO2S.3C14H12N2O2.2C13H11N3O2.C13H11NO3/c16-15(17,18)11-5-2-1-4-10(11)12(19)7-8-13(20)14-6-3-9-21-14;17-14(12-6-2-1-3-7-12)9-10-15(18)13-8-4-5-11-16-13;1-11-4-2-5-12(10-11)13(16)7-8-14(17)15-6-3-9-18-15;15-11-5-2-1-4-10(11)12(16)7-8-13(17)14-6-3-9-18-14;17-13(11-5-1-3-9-15-11)7-8-14(18)12-6-2-4-10-16-12;2*17-13(11-4-3-8-15-10-11)6-7-14(18)12-5-1-2-9-16-12;17-11(10-4-1-2-7-14-10)5-6-12(18)13-15-8-3-9-16-13;17-12(10-4-1-2-8-14-10)6-7-13(18)11-5-3-9-15-16-11;15-11(10-4-1-2-8-14-10)6-7-12(16)13-5-3-9-17-13/h1-6,9H,7-8H2;1-8,11H,9-10H2;2-6,9-10H,7-8H2,1H3;1-6,9H,7-8H2;1-6,9-10H,7-8H2;2*1-5,8-10H,6-7H2;1-4,7-9H,5-6H2;1-5,8-9H,6-7H2;1-5,8-9H,6-7H2
InChIKeyTWXQBXFVAJCKLB-UHFFFAOYSA-N
XLogP28.10
TPSA535.00 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds50
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002504.75
LogP ≤ 528.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze 1,4-dipyridin-2-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(furan-2-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-pyridazin-3-yl-4-pyridin-2-ylbutane-1,4-dione;bis(1-pyridin-2-yl-4-pyridin-3-ylbutane-1,4-dione);1-pyridin-2-yl-4-pyrimidin-2-ylbutane-1,4-dione;1-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione with MolForge

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Related Compounds

1-[2-[(Dimethylamino)methyl]phenyl]-4-(furan-2-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(furan-2-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(furan-2-yl)butane-1,4-dione;1-(furan-2-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(furan-2-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(furan-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-thiophen-2-ylbutane-1,4-dione;1-pyridazin-3-yl-4-thiophen-2-ylbutane-1,4-dione;1-pyridin-3-yl-4-thiophen-2-ylbutane-1,4-dione
CID 157357956
1-(1,3-Benzodioxol-5-yl)-4-(furan-2-yl)butane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;bis(1-(1,3-benzodioxol-5-yl)-4-pyridin-3-ylbutane-1,4-dione);1-(1,3-benzodioxol-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 157370814
1-(3,4-dihydro-2H-chromen-6-yl)-4-(furan-2-yl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-pyridin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione
CID 158038205
1-(2-Fluorophenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(2-methoxyphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(2-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione;bis(1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione);1-pyridin-2-yl-4-thiophen-2-ylbutane-1,4-dione;1-pyridin-3-yl-4-thiophen-2-ylbutane-1,4-dione;1-pyrimidin-2-yl-4-thiophen-2-ylbutane-1,4-dione;1-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione
CID 158336362
1-(Furan-2-yl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-pyridazin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-pyridin-2-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-pyridin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-pyrimidin-2-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 158502938
1-(1,3-Benzodioxol-5-yl)-4-(furan-2-yl)butane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 158535379
1-(2,3-Dihydro-1,4-benzoxathiin-6-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(2-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(3-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyridin-2-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyridin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-2-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 158590661
(5Z)-5-[[2-[4-[3-(4-amino-3-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,4-difluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(furan-2-yl)furan-2-yl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(furan-3-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[4-(furan-2-yl)thiophen-2-yl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 159813818
1-(2,2-Difluoro-1,3-benzodioxol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-(furan-2-yl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 159946232
1-(3-Fluoro-2-pyridinyl)-4-(furan-2-yl)butane-1,4-dione;1-(furan-2-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(furan-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(2-methoxyphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(2-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-pyridazin-3-yl-4-thiophen-2-ylbutane-1,4-dione;1-pyridin-2-yl-4-thiophen-2-ylbutane-1,4-dione;bis(1-pyridin-3-yl-4-thiophen-2-ylbutane-1,4-dione);1-pyrimidin-2-yl-4-thiophen-2-ylbutane-1,4-dione
CID 160039748
2-[3-(2-Fluoro-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;3-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-5-methylbenzoic acid;tris(5-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid);2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 160295424
1-(1,3-Benzodioxol-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(furan-2-yl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;bis(1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyridin-3-ylbutane-1,4-dione);1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 160450070

Frequently Asked Questions

What is the IUPAC name of 1,4-dipyridin-2-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(furan-2-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-pyridazin-3-yl-4-pyridin-2-ylbutane-1,4-dione;bis(1-pyridin-2-yl-4-pyridin-3-ylbutane-1,4-dione);1-pyridin-2-yl-4-pyrimidin-2-ylbutane-1,4-dione;1-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione?
The IUPAC name of 1,4-dipyridin-2-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(furan-2-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-pyridazin-3-yl-4-pyridin-2-ylbutane-1,4-dione;bis(1-pyridin-2-yl-4-pyridin-3-ylbutane-1,4-dione);1-pyridin-2-yl-4-pyrimidin-2-ylbutane-1,4-dione;1-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione (CID 161009295) is 1,4-dipyridin-2-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(furan-2-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-pyridazin-3-yl-4-pyridin-2-ylbutane-1,4-dione;bis(1-pyridin-2-yl-4-pyridin-3-ylbutane-1,4-dione);1-pyridin-2-yl-4-pyrimidin-2-ylbutane-1,4-dione;1-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione.
What is the SMILES notation for 1,4-dipyridin-2-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(furan-2-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-pyridazin-3-yl-4-pyridin-2-ylbutane-1,4-dione;bis(1-pyridin-2-yl-4-pyridin-3-ylbutane-1,4-dione);1-pyridin-2-yl-4-pyrimidin-2-ylbutane-1,4-dione;1-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione?
The canonical SMILES for 1,4-dipyridin-2-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(furan-2-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-pyridazin-3-yl-4-pyridin-2-ylbutane-1,4-dione;bis(1-pyridin-2-yl-4-pyridin-3-ylbutane-1,4-dione);1-pyridin-2-yl-4-pyrimidin-2-ylbutane-1,4-dione;1-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione is Cc1cccc(C(=O)CCC(=O)c2cccs2)c1.O=C(CCC(=O)c1ccccc1C(F)(F)F)c1cccs1.O=C(CCC(=O)c1ccccc1F)c1cccs1.O=C(CCC(=O)c1ccccn1)c1ccccc1.O=C(CCC(=O)c1ccccn1)c1ccccn1.O=C(CCC(=O)c1ccccn1)c1cccnc1.O=C(CCC(=O)c1ccccn1)c1cccnc1.O=C(CCC(=O)c1cccnn1)c1ccccn1.O=C(CCC(=O)c1ccco1)c1ccccn1.O=C(CCC(=O)c1ncccn1)c1ccccn1.
What is the InChIKey of 1,4-dipyridin-2-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(furan-2-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-pyridazin-3-yl-4-pyridin-2-ylbutane-1,4-dione;bis(1-pyridin-2-yl-4-pyridin-3-ylbutane-1,4-dione);1-pyridin-2-yl-4-pyrimidin-2-ylbutane-1,4-dione;1-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione?
The InChIKey is TWXQBXFVAJCKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2S.C15H13NO2.C15H14O2S.C14H11FO2S.3C14H12N2O2.2C13H11N3O2.C13H11NO3/c16-15(17,18)11-5-2-1-4-10(11)12(19)7-8-13(20)14-6-3-9-21-14;17-14(12-6-2-1-3-7-12)9-10-15(18)13-8-4-5-11-16-13;1-11-4-2-5-12(10-11)13(16)7-8-14(17)15-6-3-9-18-15;15-11-5-2-1-4-10(11)12(16)7-8-13(17)14-6-3-9-18-14;17-13(11-5-1-3-9-15-11)7-8-14(18)12-6-2-4-10-16-12;2*17-13(11-4-3-8-15-10-11)6-7-14(18)12-5-1-2-9-16-12;17-11(10-4-1-2-7-14-10)5-6-12(18)13-15-8-3-9-16-13;17-12(10-4-1-2-8-14-10)6-7-13(18)11-5-3-9-15-16-11;15-11(10-4-1-2-8-14-10)6-7-12(16)13-5-3-9-17-13/h1-6,9H,7-8H2;1-8,11H,9-10H2;2-6,9-10H,7-8H2,1H3;1-6,9H,7-8H2;1-6,9-10H,7-8H2;2*1-5,8-10H,6-7H2;1-4,7-9H,5-6H2;1-5,8-9H,6-7H2;1-5,8-9H,6-7H2.
What are the key properties of 1,4-dipyridin-2-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(furan-2-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-pyridazin-3-yl-4-pyridin-2-ylbutane-1,4-dione;bis(1-pyridin-2-yl-4-pyridin-3-ylbutane-1,4-dione);1-pyridin-2-yl-4-pyrimidin-2-ylbutane-1,4-dione;1-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione?
1,4-dipyridin-2-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(furan-2-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-pyridazin-3-yl-4-pyridin-2-ylbutane-1,4-dione;bis(1-pyridin-2-yl-4-pyridin-3-ylbutane-1,4-dione);1-pyridin-2-yl-4-pyrimidin-2-ylbutane-1,4-dione;1-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione has a molecular weight of 2504.75 g/mol, XLogP of 28.10, 50 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dipyridin-2-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(furan-2-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-pyridazin-3-yl-4-pyridin-2-ylbutane-1,4-dione;bis(1-pyridin-2-yl-4-pyridin-3-ylbutane-1,4-dione);1-pyridin-2-yl-4-pyrimidin-2-ylbutane-1,4-dione;1-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione is sourced from PubChem (CID 161009295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).