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

C110H90N20O15S — CID 158554577

About 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

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 (PubChem CID 158554577) has the molecular formula C110H90N20O15S and a molecular weight of 1964.12 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158554577
• Molecular Formula: C110H90N20O15S
• Molecular Weight: 1964.12 g/mol
• Exact Mass: 1962.66
• IUPAC Name: 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
• SMILES: Cc1ccc(C(=O)CCC(=O)c2n[nH]c3ccccc23)cc1.O=C(CCC(=O)c1n[nH]c2ccccc12)c1ccccn1.O=C(CCC(=O)c1n[nH]c2ccccc12)c1cccnc1.O=C(CCC(=O)c1n[nH]c2ccccc12)c1cccnn1.O=C(CCC(=O)c1n[nH]c2ccccc12)c1ccco1.O=C(CCC(=O)c1n[nH]c2ccccc12)c1cccs1.O=C(CCC(=O)c1n[nH]c2ccccc12)c1ncccn1
• InChI: InChI=1S/C18H16N2O2.2C16H13N3O2.2C15H12N4O2.C15H12N2O3.C15H12N2O2S/c1-12-6-8-13(9-7-12)16(21)10-11-17(22)18-14-4-2-3-5-15(14)19-20-18;20-14(11-4-3-9-17-10-11)7-8-15(21)16-12-5-1-2-6-13(12)18-19-16;20-14(13-7-3-4-10-17-13)8-9-15(21)16-11-5-1-2-6-12(11)18-19-16;20-12(6-7-13(21)15-16-8-3-9-17-15)14-10-4-1-2-5-11(10)18-19-14;20-13(12-6-3-9-16-17-12)7-8-14(21)15-10-4-1-2-5-11(10)18-19-15;2*18-12(14-6-3-9-20-14)7-8-13(19)15-10-4-1-2-5-11(10)16-17-15/h2-9H,10-11H2,1H3,(H,19,20);1-6,9-10H,7-8H2,(H,18,19);1-7,10H,8-9H2,(H,18,19);1-5,8-9H,6-7H2,(H,18,19);1-6,9H,7-8H2,(H,18,19);2*1-6,9H,7-8H2,(H,16,17)
• InChIKey: HQCZIBFUKOGCOY-UHFFFAOYSA-N
• XLogP: 20.19
• TPSA: 530.22 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 35
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1964.12
LogP ≤ 5	20.19
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1ccc(C(=O)CCC(=O)c2n[nH]c3ccccc23)cc1.O=C(CCC(=O)c1n[nH]c2ccccc12)c1ccccn1.O=C(CCC(=O)c1n[nH]c2ccccc12)c1cccnc1.O=C(CCC(=O)c1n[nH]c2ccccc12)c1cccnn1.O=C(CCC(=O)c1n[nH]c2ccccc12)c1ccco1.O=C(CCC(=O)c1n[nH]c2ccccc12)c1cccs1.O=C(CCC(=O)c1n[nH]c2ccccc12)c1ncccn1.

What is the InChIKey of 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?

The InChIKey is HQCZIBFUKOGCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2.2C16H13N3O2.2C15H12N4O2.C15H12N2O3.C15H12N2O2S/c1-12-6-8-13(9-7-12)16(21)10-11-17(22)18-14-4-2-3-5-15(14)19-20-18;20-14(11-4-3-9-17-10-11)7-8-15(21)16-12-5-1-2-6-13(12)18-19-16;20-14(13-7-3-4-10-17-13)8-9-15(21)16-11-5-1-2-6-12(11)18-19-16;20-12(6-7-13(21)15-16-8-3-9-17-15)14-10-4-1-2-5-11(10)18-19-14;20-13(12-6-3-9-16-17-12)7-8-14(21)15-10-4-1-2-5-11(10)18-19-15;2*18-12(14-6-3-9-20-14)7-8-13(19)15-10-4-1-2-5-11(10)16-17-15/h2-9H,10-11H2,1H3,(H,19,20);1-6,9-10H,7-8H2,(H,18,19);1-7,10H,8-9H2,(H,18,19);1-5,8-9H,6-7H2,(H,18,19);1-6,9H,7-8H2,(H,18,19);2*1-6,9H,7-8H2,(H,16,17).

What are the key properties of 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?

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 has a molecular weight of 1964.12 g/mol, XLogP of 20.19, 35 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158554577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).