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

C169H142N20O21S — CID 158784626

About 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

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 (PubChem CID 158784626) has the molecular formula C169H142N20O21S and a molecular weight of 2821.18 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-(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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158784626
• Molecular Formula: C169H142N20O21S
• Molecular Weight: 2821.18 g/mol
• Exact Mass: 2819.04
• IUPAC Name: 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
• SMILES: Cc1ccc(C(=O)CCC(=O)c2c[nH]c3ccccc23)cc1.Cc1cccc(C(=O)CCC(=O)c2c[nH]c3ccccc23)c1.Cc1ccccc1C(=O)CCC(=O)c1c[nH]c2ccccc12.O=C(CCC(=O)c1c[nH]c2ccccc12)c1cccnn1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ccco1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1cccs1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ccncn1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ccnnc1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1cncnc1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ncccn1
• InChI: InChI=1S/3C19H17NO2.5C16H13N3O2.C16H13NO3.C16H13NO2S/c1-13-5-4-6-14(11-13)18(21)9-10-19(22)16-12-20-17-8-3-2-7-15(16)17;1-13-6-2-3-7-14(13)18(21)10-11-19(22)16-12-20-17-9-5-4-8-15(16)17;1-13-6-8-14(9-7-13)18(21)10-11-19(22)16-12-20-17-5-3-2-4-15(16)17;20-14(6-7-15(21)16-17-8-3-9-18-16)12-10-19-13-5-2-1-4-11(12)13;20-15(7-8-16(21)14-6-3-9-18-19-14)12-10-17-13-5-2-1-4-11(12)13;20-15(11-7-17-10-18-8-11)5-6-16(21)13-9-19-14-4-2-1-3-12(13)14;20-15(11-7-8-18-19-9-11)5-6-16(21)13-10-17-14-4-2-1-3-12(13)14;20-15(5-6-16(21)14-7-8-17-10-19-14)12-9-18-13-4-2-1-3-11(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/h2-8,11-12,20H,9-10H2,1H3;2*2-9,12,20H,10-11H2,1H3;1-5,8-10,19H,6-7H2;1-6,9-10,17H,7-8H2;1-4,7-10,19H,5-6H2;1-4,7-10,17H,5-6H2;1-4,7-10,18H,5-6H2;2*1-6,9-10,17H,7-8H2
• InChIKey: IRNCTSYDJRZUNR-UHFFFAOYSA-N
• XLogP: 34.67
• TPSA: 641.34 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 50
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2821.18
LogP ≤ 5	34.67
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

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-(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?

The IUPAC name of 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) is 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.

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-(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?

The canonical SMILES for 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 is Cc1ccc(C(=O)CCC(=O)c2c[nH]c3ccccc23)cc1.Cc1cccc(C(=O)CCC(=O)c2c[nH]c3ccccc23)c1.Cc1ccccc1C(=O)CCC(=O)c1c[nH]c2ccccc12.O=C(CCC(=O)c1c[nH]c2ccccc12)c1cccnn1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ccco1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1cccs1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ccncn1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ccnnc1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1cncnc1.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-(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?

The InChIKey is IRNCTSYDJRZUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H17NO2.5C16H13N3O2.C16H13NO3.C16H13NO2S/c1-13-5-4-6-14(11-13)18(21)9-10-19(22)16-12-20-17-8-3-2-7-15(16)17;1-13-6-2-3-7-14(13)18(21)10-11-19(22)16-12-20-17-9-5-4-8-15(16)17;1-13-6-8-14(9-7-13)18(21)10-11-19(22)16-12-20-17-5-3-2-4-15(16)17;20-14(6-7-15(21)16-17-8-3-9-18-16)12-10-19-13-5-2-1-4-11(12)13;20-15(7-8-16(21)14-6-3-9-18-19-14)12-10-17-13-5-2-1-4-11(12)13;20-15(11-7-17-10-18-8-11)5-6-16(21)13-9-19-14-4-2-1-3-12(13)14;20-15(11-7-8-18-19-9-11)5-6-16(21)13-10-17-14-4-2-1-3-12(13)14;20-15(5-6-16(21)14-7-8-17-10-19-14)12-9-18-13-4-2-1-3-11(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/h2-8,11-12,20H,9-10H2,1H3;2*2-9,12,20H,10-11H2,1H3;1-5,8-10,19H,6-7H2;1-6,9-10,17H,7-8H2;1-4,7-10,19H,5-6H2;1-4,7-10,17H,5-6H2;1-4,7-10,18H,5-6H2;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-(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?

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 has a molecular weight of 2821.18 g/mol, XLogP of 34.67, 50 rotatable bonds, 10 hydrogen bond donors, and 32 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-(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 is sourced from PubChem (CID 158784626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).