1-(2-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;bis(1-(1H-indazol-3-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(1H-indazol-3-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione

C124H99F8N13O14 — CID 158308392

About 1-(2-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;bis(1-(1H-indazol-3-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(1H-indazol-3-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione

1-(2-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;bis(1-(1H-indazol-3-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(1H-indazol-3-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione (PubChem CID 158308392) has the molecular formula C124H99F8N13O14 and a molecular weight of 2147.22 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;bis(1-(1H-indazol-3-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(1H-indazol-3-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione.

Molecular Properties

• Compound Name: 1-(2-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;bis(1-(1H-indazol-3-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(1H-indazol-3-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione
• PubChem CID: 158308392
• Molecular Formula: C124H99F8N13O14
• Molecular Weight: 2147.22 g/mol
• Exact Mass: 2145.73
• IUPAC Name: 1-(2-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;bis(1-(1H-indazol-3-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(1H-indazol-3-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione
• SMILES: Cc1ccc(C(=O)CCC(=O)c2n[nH]c3ccccc23)cc1.Cc1ccc(C(=O)CCC(=O)c2n[nH]c3ccccc23)cc1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ccccc1.O=C(CCC(=O)c1n[nH]c2ccccc12)c1cccc(C(F)(F)F)c1.O=C(CCC(=O)c1n[nH]c2ccccc12)c1cccc(F)c1.O=C(CCC(=O)c1n[nH]c2ccccc12)c1ccccc1C(F)(F)F.O=C(CCC(=O)c1n[nH]c2ccccc12)c1ccccc1F
• InChI: InChI=1S/2C18H13F3N2O2.2C18H16N2O2.C18H15NO2.2C17H13FN2O2/c19-18(20,21)13-7-3-1-5-11(13)15(24)9-10-16(25)17-12-6-2-4-8-14(12)22-23-17;19-18(20,21)12-5-3-4-11(10-12)15(24)8-9-16(25)17-13-6-1-2-7-14(13)22-23-17;2*1-12-6-8-13(9-7-12)16(21)10-11-17(22)18-14-4-2-3-5-15(14)19-20-18;20-17(13-6-2-1-3-7-13)10-11-18(21)15-12-19-16-9-5-4-8-14(15)16;18-13-7-3-1-5-11(13)15(21)9-10-16(22)17-12-6-2-4-8-14(12)19-20-17;18-12-5-3-4-11(10-12)15(21)8-9-16(22)17-13-6-1-2-7-14(13)19-20-17/h1-8H,9-10H2,(H,22,23);1-7,10H,8-9H2,(H,22,23);2*2-9H,10-11H2,1H3,(H,19,20);1-9,12,19H,10-11H2;1-8H,9-10H2,(H,19,20);1-7,10H,8-9H2,(H,19,20)
• InChIKey: GNJLQZIKIKKRCT-UHFFFAOYSA-N
• XLogP: 27.40
• TPSA: 426.85 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 35
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2147.22
LogP ≤ 5	27.40
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;bis(1-(1H-indazol-3-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(1H-indazol-3-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione?

The IUPAC name of 1-(2-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;bis(1-(1H-indazol-3-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(1H-indazol-3-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione (CID 158308392) is 1-(2-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;bis(1-(1H-indazol-3-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(1H-indazol-3-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione.

What is the SMILES notation for 1-(2-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;bis(1-(1H-indazol-3-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(1H-indazol-3-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione?

The canonical SMILES for 1-(2-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;bis(1-(1H-indazol-3-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(1H-indazol-3-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione is Cc1ccc(C(=O)CCC(=O)c2n[nH]c3ccccc23)cc1.Cc1ccc(C(=O)CCC(=O)c2n[nH]c3ccccc23)cc1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ccccc1.O=C(CCC(=O)c1n[nH]c2ccccc12)c1cccc(C(F)(F)F)c1.O=C(CCC(=O)c1n[nH]c2ccccc12)c1cccc(F)c1.O=C(CCC(=O)c1n[nH]c2ccccc12)c1ccccc1C(F)(F)F.O=C(CCC(=O)c1n[nH]c2ccccc12)c1ccccc1F.

What is the InChIKey of 1-(2-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;bis(1-(1H-indazol-3-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(1H-indazol-3-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione?

The InChIKey is GNJLQZIKIKKRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H13F3N2O2.2C18H16N2O2.C18H15NO2.2C17H13FN2O2/c19-18(20,21)13-7-3-1-5-11(13)15(24)9-10-16(25)17-12-6-2-4-8-14(12)22-23-17;19-18(20,21)12-5-3-4-11(10-12)15(24)8-9-16(25)17-13-6-1-2-7-14(13)22-23-17;2*1-12-6-8-13(9-7-12)16(21)10-11-17(22)18-14-4-2-3-5-15(14)19-20-18;20-17(13-6-2-1-3-7-13)10-11-18(21)15-12-19-16-9-5-4-8-14(15)16;18-13-7-3-1-5-11(13)15(21)9-10-16(22)17-12-6-2-4-8-14(12)19-20-17;18-12-5-3-4-11(10-12)15(21)8-9-16(22)17-13-6-1-2-7-14(13)19-20-17/h1-8H,9-10H2,(H,22,23);1-7,10H,8-9H2,(H,22,23);2*2-9H,10-11H2,1H3,(H,19,20);1-9,12,19H,10-11H2;1-8H,9-10H2,(H,19,20);1-7,10H,8-9H2,(H,19,20).

What are the key properties of 1-(2-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;bis(1-(1H-indazol-3-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(1H-indazol-3-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione?

1-(2-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;bis(1-(1H-indazol-3-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(1H-indazol-3-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione has a molecular weight of 2147.22 g/mol, XLogP of 27.40, 35 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;bis(1-(1H-indazol-3-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(1H-indazol-3-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione is sourced from PubChem (CID 158308392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).