1-(furan-2-yl)-4-(1H-indol-5-yl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-thiophen-2-ylbutane-1,4-dione

C120H101N11O15S — CID 158529597

IUPAC1-(furan-2-yl)-4-(1H-indol-5-yl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-thiophen-2-ylbutane-1,4-dione
SMILESCc1cccc(C(=O)CCC(=O)c2ccc3[nH]ccc3c2)c1.Cc1ccccc1C(=O)CCC(=O)c1ccc2[nH]ccc2c1.O=C(CCC(=O)c1ccc2[nH]ccc2c1)c1cccnc1.O=C(CCC(=O)c1ccccn1)c1ccc2[nH]ccc2c1.O=C(CCC(=O)c1cccnn1)c1ccc2[nH]ccc2c1.O=C(CCC(=O)c1ccco1)c1ccc2[nH]ccc2c1.O=C(CCC(=O)c1cccs1)c1ccc2[nH]ccc2c1
InChIInChI=1S/2C19H17NO2.2C17H14N2O2.C16H13N3O2.C16H13NO3.C16H13NO2S/c1-13-3-2-4-15(11-13)18(21)7-8-19(22)16-5-6-17-14(12-16)9-10-20-17;1-13-4-2-3-5-16(13)19(22)9-8-18(21)15-6-7-17-14(12-15)10-11-20-17;20-16(5-6-17(21)14-2-1-8-18-11-14)13-3-4-15-12(10-13)7-9-19-15;20-16(6-7-17(21)15-3-1-2-9-18-15)13-4-5-14-12(11-13)8-10-19-14;20-15(5-6-16(21)14-2-1-8-18-19-14)12-3-4-13-11(10-12)7-9-17-13;2*18-14(5-6-15(19)16-2-1-9-20-16)12-3-4-13-11(10-12)7-8-17-13/h2-6,9-12,20H,7-8H2,1H3;2-7,10-12,20H,8-9H2,1H3;1-4,7-11,19H,5-6H2;1-5,8-11,19H,6-7H2;1-4,7-10,17H,5-6H2;2*1-4,7-10,17H,5-6H2
InChIKeyHNEXEMHAWBUZFH-UHFFFAOYSA-N
MW1969.26 g/mol
LogP25.95
Rot. Bonds35

About 1-(furan-2-yl)-4-(1H-indol-5-yl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-thiophen-2-ylbutane-1,4-dione

1-(furan-2-yl)-4-(1H-indol-5-yl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-thiophen-2-ylbutane-1,4-dione (PubChem CID 158529597) has the molecular formula C120H101N11O15S and a molecular weight of 1969.26 g/mol. Its IUPAC name is 1-(furan-2-yl)-4-(1H-indol-5-yl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-thiophen-2-ylbutane-1,4-dione.

Molecular Properties

Compound Name1-(furan-2-yl)-4-(1H-indol-5-yl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-thiophen-2-ylbutane-1,4-dione
PubChem CID158529597
Molecular FormulaC120H101N11O15S
Molecular Weight1969.26 g/mol
Exact Mass1967.72
IUPAC Name1-(furan-2-yl)-4-(1H-indol-5-yl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-thiophen-2-ylbutane-1,4-dione
SMILESCc1cccc(C(=O)CCC(=O)c2ccc3[nH]ccc3c2)c1.Cc1ccccc1C(=O)CCC(=O)c1ccc2[nH]ccc2c1.O=C(CCC(=O)c1ccc2[nH]ccc2c1)c1cccnc1.O=C(CCC(=O)c1ccccn1)c1ccc2[nH]ccc2c1.O=C(CCC(=O)c1cccnn1)c1ccc2[nH]ccc2c1.O=C(CCC(=O)c1ccco1)c1ccc2[nH]ccc2c1.O=C(CCC(=O)c1cccs1)c1ccc2[nH]ccc2c1
InChIInChI=1S/2C19H17NO2.2C17H14N2O2.C16H13N3O2.C16H13NO3.C16H13NO2S/c1-13-3-2-4-15(11-13)18(21)7-8-19(22)16-5-6-17-14(12-16)9-10-20-17;1-13-4-2-3-5-16(13)19(22)9-8-18(21)15-6-7-17-14(12-15)10-11-20-17;20-16(5-6-17(21)14-2-1-8-18-11-14)13-3-4-15-12(10-13)7-9-19-15;20-16(6-7-17(21)15-3-1-2-9-18-15)13-4-5-14-12(11-13)8-10-19-14;20-15(5-6-16(21)14-2-1-8-18-19-14)12-3-4-13-11(10-12)7-9-17-13;2*18-14(5-6-15(19)16-2-1-9-20-16)12-3-4-13-11(10-12)7-8-17-13/h2-6,9-12,20H,7-8H2,1H3;2-7,10-12,20H,8-9H2,1H3;1-4,7-11,19H,5-6H2;1-5,8-11,19H,6-7H2;1-4,7-10,17H,5-6H2;2*1-4,7-10,17H,5-6H2
InChIKeyHNEXEMHAWBUZFH-UHFFFAOYSA-N
XLogP25.95
TPSA414.21 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds35
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001969.26
LogP ≤ 525.95
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze 1-(furan-2-yl)-4-(1H-indol-5-yl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-thiophen-2-ylbutane-1,4-dione with MolForge

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Related Compounds

cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157071553
1-(furan-2-yl)-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 157200534
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(furan-2-yl)-4-(1H-indol-5-yl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 157211296
bis(cyclopenta-1,3-dien-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone);1H-indol-3-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(5-methylfuran-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(5-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-2-ylmethanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-3-ylmethanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-thiophen-3-ylmethanone
CID 157233926
1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indol-3-yl)butane-1,4-dione
CID 157478108
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;N-ethyl-4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]cyclohexan-1-amine;2-[3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine;methane
CID 157563357
1-(3H-benzimidazol-5-yl)-4-(furan-2-yl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-thiophen-2-ylbutane-1,4-dione;1-(1-benzothiophen-5-yl)-4-pyridazin-4-ylbutane-1,4-dione
CID 157982394
1-(furan-2-yl)-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimine;1-(furan-2-yl)-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanimine;2-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylethanamine;methane;N'-[[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 158056437
1-(furan-2-yl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indazol-3-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indazol-3-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indazol-3-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(1H-indazol-3-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 158554577
1-(furan-2-yl)-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 158784626
bis(cyclopenta-1,3-dien-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone);furan-2-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;1H-indol-3-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methylfuran-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(5-methylfuran-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-2-ylmethanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(2H-pyrrol-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-thiophen-3-ylmethanone
CID 159479057
2-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;N-ethyl-4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]cyclohexan-1-amine;2-[3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 159632114

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-4-(1H-indol-5-yl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-thiophen-2-ylbutane-1,4-dione?
The IUPAC name of 1-(furan-2-yl)-4-(1H-indol-5-yl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-thiophen-2-ylbutane-1,4-dione (CID 158529597) is 1-(furan-2-yl)-4-(1H-indol-5-yl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-thiophen-2-ylbutane-1,4-dione.
What is the SMILES notation for 1-(furan-2-yl)-4-(1H-indol-5-yl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-thiophen-2-ylbutane-1,4-dione?
The canonical SMILES for 1-(furan-2-yl)-4-(1H-indol-5-yl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-thiophen-2-ylbutane-1,4-dione is Cc1cccc(C(=O)CCC(=O)c2ccc3[nH]ccc3c2)c1.Cc1ccccc1C(=O)CCC(=O)c1ccc2[nH]ccc2c1.O=C(CCC(=O)c1ccc2[nH]ccc2c1)c1cccnc1.O=C(CCC(=O)c1ccccn1)c1ccc2[nH]ccc2c1.O=C(CCC(=O)c1cccnn1)c1ccc2[nH]ccc2c1.O=C(CCC(=O)c1ccco1)c1ccc2[nH]ccc2c1.O=C(CCC(=O)c1cccs1)c1ccc2[nH]ccc2c1.
What is the InChIKey of 1-(furan-2-yl)-4-(1H-indol-5-yl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-thiophen-2-ylbutane-1,4-dione?
The InChIKey is HNEXEMHAWBUZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H17NO2.2C17H14N2O2.C16H13N3O2.C16H13NO3.C16H13NO2S/c1-13-3-2-4-15(11-13)18(21)7-8-19(22)16-5-6-17-14(12-16)9-10-20-17;1-13-4-2-3-5-16(13)19(22)9-8-18(21)15-6-7-17-14(12-15)10-11-20-17;20-16(5-6-17(21)14-2-1-8-18-11-14)13-3-4-15-12(10-13)7-9-19-15;20-16(6-7-17(21)15-3-1-2-9-18-15)13-4-5-14-12(11-13)8-10-19-14;20-15(5-6-16(21)14-2-1-8-18-19-14)12-3-4-13-11(10-12)7-9-17-13;2*18-14(5-6-15(19)16-2-1-9-20-16)12-3-4-13-11(10-12)7-8-17-13/h2-6,9-12,20H,7-8H2,1H3;2-7,10-12,20H,8-9H2,1H3;1-4,7-11,19H,5-6H2;1-5,8-11,19H,6-7H2;1-4,7-10,17H,5-6H2;2*1-4,7-10,17H,5-6H2.
What are the key properties of 1-(furan-2-yl)-4-(1H-indol-5-yl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-thiophen-2-ylbutane-1,4-dione?
1-(furan-2-yl)-4-(1H-indol-5-yl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-thiophen-2-ylbutane-1,4-dione has a molecular weight of 1969.26 g/mol, XLogP of 25.95, 35 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-4-(1H-indol-5-yl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-thiophen-2-ylbutane-1,4-dione is sourced from PubChem (CID 158529597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).