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

C116H97N15O15S — CID 159682733

About 1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-phenylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-thiophen-2-ylbutane-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-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-phenylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-thiophen-2-ylbutane-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 (PubChem CID 159682733) has the molecular formula C116H97N15O15S and a molecular weight of 1973.21 g/mol. Its IUPAC name is 1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-phenylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-thiophen-2-ylbutane-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.

Molecular Properties

• Compound Name: 1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-phenylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-thiophen-2-ylbutane-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
• PubChem CID: 159682733
• Molecular Formula: C116H97N15O15S
• Molecular Weight: 1973.21 g/mol
• Exact Mass: 1971.70
• IUPAC Name: 1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-phenylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-thiophen-2-ylbutane-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
• SMILES: Cc1cccc(C(=O)CCC(=O)c2c[nH]c3ccccc23)c1.Cc1ccccc1C(=O)CCC(=O)c1c[nH]c2ccccc12.O=C(CCC(=O)c1ccc2[nH]ncc2c1)c1ccccc1.O=C(CCC(=O)c1ccc2[nH]ncc2c1)c1cccnc1.O=C(CCC(=O)c1cccnn1)c1ccc2[nH]ncc2c1.O=C(CCC(=O)c1ccco1)c1ccc2[nH]ncc2c1.O=C(CCC(=O)c1cccs1)c1ccc2[nH]ncc2c1
• InChI: InChI=1S/2C19H17NO2.C17H14N2O2.C16H13N3O2.C15H12N4O2.C15H12N2O3.C15H12N2O2S/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;20-16(12-4-2-1-3-5-12)8-9-17(21)13-6-7-15-14(10-13)11-18-19-15;20-15(5-6-16(21)12-2-1-7-17-9-12)11-3-4-14-13(8-11)10-18-19-14;20-14(5-6-15(21)13-2-1-7-16-19-13)10-3-4-12-11(8-10)9-17-18-12;2*18-13(5-6-14(19)15-2-1-7-20-15)10-3-4-12-11(8-10)9-16-17-12/h2-8,11-12,20H,9-10H2,1H3;2-9,12,20H,10-11H2,1H3;1-7,10-11H,8-9H2,(H,18,19);1-4,7-10H,5-6H2,(H,18,19);1-4,7-9H,5-6H2,(H,17,18);2*1-4,7-9H,5-6H2,(H,16,17)
• InChIKey: MVKDVHLAJJPROC-UHFFFAOYSA-N
• XLogP: 23.53
• TPSA: 465.77 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 35
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1973.21
LogP ≤ 5	23.53
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-phenylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-thiophen-2-ylbutane-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?

The IUPAC name of 1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-phenylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-thiophen-2-ylbutane-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 (CID 159682733) is 1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-phenylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-thiophen-2-ylbutane-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.

What is the SMILES notation for 1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-phenylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-thiophen-2-ylbutane-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?

The canonical SMILES for 1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-phenylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-thiophen-2-ylbutane-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 is Cc1cccc(C(=O)CCC(=O)c2c[nH]c3ccccc23)c1.Cc1ccccc1C(=O)CCC(=O)c1c[nH]c2ccccc12.O=C(CCC(=O)c1ccc2[nH]ncc2c1)c1ccccc1.O=C(CCC(=O)c1ccc2[nH]ncc2c1)c1cccnc1.O=C(CCC(=O)c1cccnn1)c1ccc2[nH]ncc2c1.O=C(CCC(=O)c1ccco1)c1ccc2[nH]ncc2c1.O=C(CCC(=O)c1cccs1)c1ccc2[nH]ncc2c1.

What is the InChIKey of 1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-phenylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-thiophen-2-ylbutane-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?

The InChIKey is MVKDVHLAJJPROC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H17NO2.C17H14N2O2.C16H13N3O2.C15H12N4O2.C15H12N2O3.C15H12N2O2S/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;20-16(12-4-2-1-3-5-12)8-9-17(21)13-6-7-15-14(10-13)11-18-19-15;20-15(5-6-16(21)12-2-1-7-17-9-12)11-3-4-14-13(8-11)10-18-19-14;20-14(5-6-15(21)13-2-1-7-16-19-13)10-3-4-12-11(8-10)9-17-18-12;2*18-13(5-6-14(19)15-2-1-7-20-15)10-3-4-12-11(8-10)9-16-17-12/h2-8,11-12,20H,9-10H2,1H3;2-9,12,20H,10-11H2,1H3;1-7,10-11H,8-9H2,(H,18,19);1-4,7-10H,5-6H2,(H,18,19);1-4,7-9H,5-6H2,(H,17,18);2*1-4,7-9H,5-6H2,(H,16,17).

What are the key properties of 1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-phenylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-thiophen-2-ylbutane-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-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-phenylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-thiophen-2-ylbutane-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 has a molecular weight of 1973.21 g/mol, XLogP of 23.53, 35 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-phenylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-thiophen-2-ylbutane-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 is sourced from PubChem (CID 159682733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).