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

C101H84N10O13S — CID 157200534

IUPAC1-(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
SMILESCc1ccc(C(=O)CCC(=O)c2c[nH]c3ccccc23)cc1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ccccn1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1cccnc1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ccco1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1cccs1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ncccn1
InChIInChI=1S/C19H17NO2.2C17H14N2O2.C16H13N3O2.C16H13NO3.C16H13NO2S/c1-13-6-8-14(9-7-13)18(21)10-11-19(22)16-12-20-17-5-3-2-4-15(16)17;20-16(12-4-3-9-18-10-12)7-8-17(21)14-11-19-15-6-2-1-5-13(14)15;20-16(8-9-17(21)15-7-3-4-10-18-15)13-11-19-14-6-2-1-5-12(13)14;20-14(6-7-15(21)16-17-8-3-9-18-16)12-10-19-13-5-2-1-4-11(12)13;2*18-14(7-8-15(19)16-6-3-9-20-16)12-10-17-13-5-2-1-4-11(12)13/h2-9,12,20H,10-11H2,1H3;1-6,9-11,19H,7-8H2;1-7,10-11,19H,8-9H2;1-5,8-10,19H,6-7H2;2*1-6,9-10,17H,7-8H2
InChIKeyAQTBGRQGJCPIDH-UHFFFAOYSA-N
MW1677.91 g/mol
LogP21.63
Rot. Bonds30

About 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

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 (PubChem CID 157200534) has the molecular formula C101H84N10O13S and a molecular weight of 1677.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID157200534
Molecular FormulaC101H84N10O13S
Molecular Weight1677.91 g/mol
Exact Mass1676.59
IUPAC Name1-(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
SMILESCc1ccc(C(=O)CCC(=O)c2c[nH]c3ccccc23)cc1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ccccn1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1cccnc1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ccco1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1cccs1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ncccn1
InChIInChI=1S/C19H17NO2.2C17H14N2O2.C16H13N3O2.C16H13NO3.C16H13NO2S/c1-13-6-8-14(9-7-13)18(21)10-11-19(22)16-12-20-17-5-3-2-4-15(16)17;20-16(12-4-3-9-18-10-12)7-8-17(21)14-11-19-15-6-2-1-5-13(14)15;20-16(8-9-17(21)15-7-3-4-10-18-15)13-11-19-14-6-2-1-5-12(13)14;20-14(6-7-15(21)16-17-8-3-9-18-16)12-10-19-13-5-2-1-4-11(12)13;2*18-14(7-8-15(19)16-6-3-9-20-16)12-10-17-13-5-2-1-4-11(12)13/h2-9,12,20H,10-11H2,1H3;1-6,9-11,19H,7-8H2;1-7,10-11,19H,8-9H2;1-5,8-10,19H,6-7H2;2*1-6,9-10,17H,7-8H2
InChIKeyAQTBGRQGJCPIDH-UHFFFAOYSA-N
XLogP21.63
TPSA364.28 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds30
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001677.91
LogP ≤ 521.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Related Compounds

3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 159452581
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(furan-2-yl)-4-(1H-indol-3-yl)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-thiophen-2-ylbutane-1,4-dione
CID 160060223
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
cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;4-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157299544
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;methane;2-methyl-5-(4-methylphenyl)thiophene;2-(4-methylphenyl)-1-benzofuran;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-(4-methylphenyl)pyrimidine;5-(4-methylphenyl)pyrimidine;2-(4-methylphenyl)-1H-pyrrole;3-(4-methylphenyl)thiophene
CID 157573101
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
4-[(E)-3-aminoprop-1-enyl]aniline;(E)-3-(furan-2-yl)prop-2-en-1-amine;2-[(E)-3-(furan-2-yl)prop-2-enyl]isoindole-1,3-dione;(E)-3-(1H-imidazol-5-yl)prop-2-en-1-amine;2-[(E)-3-(1H-imidazol-5-yl)prop-2-enyl]isoindole-1,3-dione;(E)-3-(1H-indol-3-yl)prop-2-en-1-amine;2-[(E)-3-(1H-indol-3-yl)prop-2-enyl]isoindole-1,3-dione;(E)-3-(4-methylphenyl)prop-2-en-1-amine;(E)-3-pyridin-4-ylprop-2-en-1-amine;2-[(E)-3-pyridin-4-ylprop-2-enyl]isoindole-1,3-dione;(E)-3-thiophen-2-ylprop-2-en-1-amine;2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione
CID 158050702
1-(3H-benzimidazol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(1,3-benzoxazol-5-yl)-4-(furan-2-yl)butane-1,4-dione;1-(1,3-benzoxazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1,3-benzoxazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1,3-benzoxazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1,3-benzoxazol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1,3-benzoxazol-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(1,3-benzoxazol-5-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(1,3-benzoxazol-5-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(1,3-benzoxazol-5-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 158169537
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
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
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;methane;2-methyl-5-(4-methylphenyl)thiophene;2-(4-methylphenyl)-1-benzofuran;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-(4-methylphenyl)pyrimidine;5-(4-methylphenyl)pyrimidine;2-(4-methylphenyl)-1H-pyrrole;3-(4-methylphenyl)thiophene
CID 158910828

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(C(=O)CCC(=O)c2c[nH]c3ccccc23)cc1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ccccn1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1cccnc1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ccco1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1cccs1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ncccn1.
What is the InChIKey of 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?
The InChIKey is AQTBGRQGJCPIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2.2C17H14N2O2.C16H13N3O2.C16H13NO3.C16H13NO2S/c1-13-6-8-14(9-7-13)18(21)10-11-19(22)16-12-20-17-5-3-2-4-15(16)17;20-16(12-4-3-9-18-10-12)7-8-17(21)14-11-19-15-6-2-1-5-13(14)15;20-16(8-9-17(21)15-7-3-4-10-18-15)13-11-19-14-6-2-1-5-12(13)14;20-14(6-7-15(21)16-17-8-3-9-18-16)12-10-19-13-5-2-1-4-11(12)13;2*18-14(7-8-15(19)16-6-3-9-20-16)12-10-17-13-5-2-1-4-11(12)13/h2-9,12,20H,10-11H2,1H3;1-6,9-11,19H,7-8H2;1-7,10-11,19H,8-9H2;1-5,8-10,19H,6-7H2;2*1-6,9-10,17H,7-8H2.
What are the key properties of 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?
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 has a molecular weight of 1677.91 g/mol, XLogP of 21.63, 30 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157200534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).