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

C169H143N19O23S — CID 157211296

About 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

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 (PubChem CID 157211296) has the molecular formula C169H143N19O23S and a molecular weight of 2840.18 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157211296
• Molecular Formula: C169H143N19O23S
• Molecular Weight: 2840.18 g/mol
• Exact Mass: 2838.03
• IUPAC Name: 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
• SMILES: Cc1ccc(C(=O)CCC(=O)c2ccc3[nH]ccc3c2)cc1.Cc1cccc(C(=O)CCC(=O)c2ccc3[nH]ccc3c2)c1.Cc1ccccc1C(=O)CCC(=O)c1ccc2[nH]ccc2c1.O=C(CCC(=O)c1ccc2[nH]ccc2c1)c1cncnc1.O=C(CCC(=O)c1cccc2c1OCCO2)c1ccnnc1.O=C(CCC(=O)c1cccnn1)c1ccc2[nH]ccc2c1.O=C(CCC(=O)c1ccco1)c1ccc2[nH]ccc2c1.O=C(CCC(=O)c1cccs1)c1ccc2[nH]ccc2c1.O=C(CCC(=O)c1ccncn1)c1ccc2[nH]ccc2c1.O=C(CCC(=O)c1ncccn1)c1ccc2[nH]ccc2c1
• InChI: InChI=1S/3C19H17NO2.4C16H13N3O2.C16H14N2O4.C16H13NO3.C16H13NO2S/c1-13-2-4-14(5-3-13)18(21)8-9-19(22)16-6-7-17-15(12-16)10-11-20-17;1-13-3-2-4-15(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;20-14(4-5-15(21)16-18-7-1-8-19-16)12-2-3-13-11(10-12)6-9-17-13;20-15(3-4-16(21)14-6-7-17-10-19-14)12-1-2-13-11(9-12)5-8-18-13;20-15(3-4-16(21)13-8-17-10-18-9-13)12-1-2-14-11(7-12)5-6-19-14;20-15(5-6-16(21)14-2-1-8-18-19-14)12-3-4-13-11(10-12)7-9-17-13;19-13(11-6-7-17-18-10-11)4-5-14(20)12-2-1-3-15-16(12)22-9-8-21-15;2*18-14(5-6-15(19)16-2-1-9-20-16)12-3-4-13-11(10-12)7-8-17-13/h2-7,10-12,20H,8-9H2,1H3;2-6,9-12,20H,7-8H2,1H3;2-7,10-12,20H,8-9H2,1H3;1-3,6-10,17H,4-5H2;1-2,5-10,18H,3-4H2;1-2,5-10,19H,3-4H2;1-4,7-10,17H,5-6H2;1-3,6-7,10H,4-5,8-9H2;2*1-4,7-10,17H,5-6H2
• InChIKey: ARXMCOOTMVBVDD-UHFFFAOYSA-N
• XLogP: 33.96
• TPSA: 644.01 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 50
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2840.18
LogP ≤ 5	33.96
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1ccc(C(=O)CCC(=O)c2ccc3[nH]ccc3c2)cc1.Cc1cccc(C(=O)CCC(=O)c2ccc3[nH]ccc3c2)c1.Cc1ccccc1C(=O)CCC(=O)c1ccc2[nH]ccc2c1.O=C(CCC(=O)c1ccc2[nH]ccc2c1)c1cncnc1.O=C(CCC(=O)c1cccc2c1OCCO2)c1ccnnc1.O=C(CCC(=O)c1cccnn1)c1ccc2[nH]ccc2c1.O=C(CCC(=O)c1ccco1)c1ccc2[nH]ccc2c1.O=C(CCC(=O)c1cccs1)c1ccc2[nH]ccc2c1.O=C(CCC(=O)c1ccncn1)c1ccc2[nH]ccc2c1.O=C(CCC(=O)c1ncccn1)c1ccc2[nH]ccc2c1.

What is the InChIKey of 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?

The InChIKey is ARXMCOOTMVBVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H17NO2.4C16H13N3O2.C16H14N2O4.C16H13NO3.C16H13NO2S/c1-13-2-4-14(5-3-13)18(21)8-9-19(22)16-6-7-17-15(12-16)10-11-20-17;1-13-3-2-4-15(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;20-14(4-5-15(21)16-18-7-1-8-19-16)12-2-3-13-11(10-12)6-9-17-13;20-15(3-4-16(21)14-6-7-17-10-19-14)12-1-2-13-11(9-12)5-8-18-13;20-15(3-4-16(21)13-8-17-10-18-9-13)12-1-2-14-11(7-12)5-6-19-14;20-15(5-6-16(21)14-2-1-8-18-19-14)12-3-4-13-11(10-12)7-9-17-13;19-13(11-6-7-17-18-10-11)4-5-14(20)12-2-1-3-15-16(12)22-9-8-21-15;2*18-14(5-6-15(19)16-2-1-9-20-16)12-3-4-13-11(10-12)7-8-17-13/h2-7,10-12,20H,8-9H2,1H3;2-6,9-12,20H,7-8H2,1H3;2-7,10-12,20H,8-9H2,1H3;1-3,6-10,17H,4-5H2;1-2,5-10,18H,3-4H2;1-2,5-10,19H,3-4H2;1-4,7-10,17H,5-6H2;1-3,6-7,10H,4-5,8-9H2;2*1-4,7-10,17H,5-6H2.

What are the key properties of 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?

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 has a molecular weight of 2840.18 g/mol, XLogP of 33.96, 50 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157211296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).