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-(2-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-4-ylbutane-1,4-dione

C162H134F6N14O21 — CID 160705108

About 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-(2-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-4-ylbutane-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-(2-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-4-ylbutane-1,4-dione (PubChem CID 160705108) has the molecular formula C162H134F6N14O21 and a molecular weight of 2726.92 g/mol. Its IUPAC name is 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-(2-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-4-ylbutane-1,4-dione.

Molecular Properties

• Compound Name: 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-(2-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-4-ylbutane-1,4-dione
• PubChem CID: 160705108
• Molecular Formula: C162H134F6N14O21
• Molecular Weight: 2726.92 g/mol
• Exact Mass: 2724.98
• IUPAC Name: 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-(2-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-4-ylbutane-1,4-dione
• SMILES: COc1ccc(C(=O)CCC(=O)c2c[nH]c3ccccc23)cc1.COc1cccc(C(=O)CCC(=O)c2c[nH]c3ccccc23)c1.COc1ccccc1C(=O)CCC(=O)c1c[nH]c2ccccc12.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ccccc1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ccccn1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1cccnc1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ccncc1.O=C(CCC(=O)c1n[nH]c2ccccc12)c1cccc(C(F)(F)F)c1.O=C(CCC(=O)c1n[nH]c2ccccc12)c1ccccc1C(F)(F)F
• InChI: InChI=1S/3C19H17NO3.2C18H13F3N2O2.C18H15NO2.3C17H14N2O2/c1-23-19-9-5-3-7-14(19)17(21)10-11-18(22)15-12-20-16-8-4-2-6-13(15)16;1-23-14-6-4-5-13(11-14)18(21)9-10-19(22)16-12-20-17-8-3-2-7-15(16)17;1-23-14-8-6-13(7-9-14)18(21)10-11-19(22)16-12-20-17-5-3-2-4-15(16)17;19-18(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;20-17(13-6-2-1-3-7-13)10-11-18(21)15-12-19-16-9-5-4-8-14(15)16;20-16(12-4-3-9-18-10-12)7-8-17(21)14-11-19-15-6-2-1-5-13(14)15;20-16(8-9-17(21)15-7-3-4-10-18-15)13-11-19-14-6-2-1-5-12(13)14;20-16(12-7-9-18-10-8-12)5-6-17(21)14-11-19-15-4-2-1-3-13(14)15/h2-9,12,20H,10-11H2,1H3;2-8,11-12,20H,9-10H2,1H3;2-9,12,20H,10-11H2,1H3;1-8H,9-10H2,(H,22,23);1-7,10H,8-9H2,(H,22,23);1-9,12,19H,10-11H2;1-6,9-11,19H,7-8H2;1-7,10-11,19H,8-9H2;1-4,7-11,19H,5-6H2
• InChIKey: RRCVRGQITZFKCW-UHFFFAOYSA-N
• XLogP: 35.16
• TPSA: 541.51 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 48
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2726.92
LogP ≤ 5	35.16
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 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-(2-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-4-ylbutane-1,4-dione?

The IUPAC name of 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-(2-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-4-ylbutane-1,4-dione (CID 160705108) is 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-(2-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-4-ylbutane-1,4-dione.

What is the SMILES notation for 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-(2-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-4-ylbutane-1,4-dione?

The canonical SMILES for 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-(2-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-4-ylbutane-1,4-dione is COc1ccc(C(=O)CCC(=O)c2c[nH]c3ccccc23)cc1.COc1cccc(C(=O)CCC(=O)c2c[nH]c3ccccc23)c1.COc1ccccc1C(=O)CCC(=O)c1c[nH]c2ccccc12.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ccccc1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ccccn1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1cccnc1.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ccncc1.O=C(CCC(=O)c1n[nH]c2ccccc12)c1cccc(C(F)(F)F)c1.O=C(CCC(=O)c1n[nH]c2ccccc12)c1ccccc1C(F)(F)F.

What is the InChIKey of 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-(2-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-4-ylbutane-1,4-dione?

The InChIKey is RRCVRGQITZFKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H17NO3.2C18H13F3N2O2.C18H15NO2.3C17H14N2O2/c1-23-19-9-5-3-7-14(19)17(21)10-11-18(22)15-12-20-16-8-4-2-6-13(15)16;1-23-14-6-4-5-13(11-14)18(21)9-10-19(22)16-12-20-17-8-3-2-7-15(16)17;1-23-14-8-6-13(7-9-14)18(21)10-11-19(22)16-12-20-17-5-3-2-4-15(16)17;19-18(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;20-17(13-6-2-1-3-7-13)10-11-18(21)15-12-19-16-9-5-4-8-14(15)16;20-16(12-4-3-9-18-10-12)7-8-17(21)14-11-19-15-6-2-1-5-13(14)15;20-16(8-9-17(21)15-7-3-4-10-18-15)13-11-19-14-6-2-1-5-12(13)14;20-16(12-7-9-18-10-8-12)5-6-17(21)14-11-19-15-4-2-1-3-13(14)15/h2-9,12,20H,10-11H2,1H3;2-8,11-12,20H,9-10H2,1H3;2-9,12,20H,10-11H2,1H3;1-8H,9-10H2,(H,22,23);1-7,10H,8-9H2,(H,22,23);1-9,12,19H,10-11H2;1-6,9-11,19H,7-8H2;1-7,10-11,19H,8-9H2;1-4,7-11,19H,5-6H2.

What are the key properties of 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-(2-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-4-ylbutane-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-(2-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-4-ylbutane-1,4-dione has a molecular weight of 2726.92 g/mol, XLogP of 35.16, 48 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(2-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-4-ylbutane-1,4-dione is sourced from PubChem (CID 160705108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).