1-(2,3-dihydro-1H-inden-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione

C153H150F4N8O17 — CID 159358382

About 1-(2,3-dihydro-1H-inden-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione

1-(2,3-dihydro-1H-inden-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione (PubChem CID 159358382) has the molecular formula C153H150F4N8O17 and a molecular weight of 2448.91 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1H-inden-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
• PubChem CID: 159358382
• Molecular Formula: C153H150F4N8O17
• Molecular Weight: 2448.91 g/mol
• Exact Mass: 2447.11
• IUPAC Name: 1-(2,3-dihydro-1H-inden-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
• SMILES: CCc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)CCC2.CN(C)Cc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)CCC2.COc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)CCC2.Cc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)CCC2.O=C(CCC(=O)c1ccccn1)c1ccc2c(c1)CCC2.O=C(CCC(=O)c1ncccc1C(F)(F)F)c1ccc2c(c1)CCC2.O=C(CCC(=O)c1ncccc1F)c1ccc2c(c1)CCC2.O=C(CCC(=O)c1ncccn1)c1ccc2c(c1)CCC2
• InChI: InChI=1S/C22H25NO2.C21H22O2.C19H16F3NO2.C19H19NO3.C19H19NO2.C18H16FNO2.C18H17NO2.C17H16N2O2/c1-23(2)15-19-6-3-4-9-20(19)22(25)13-12-21(24)18-11-10-16-7-5-8-17(16)14-18;1-2-15-6-3-4-9-19(15)21(23)13-12-20(22)18-11-10-16-7-5-8-17(16)14-18;20-19(21,22)15-5-2-10-23-18(15)17(25)9-8-16(24)14-7-6-12-3-1-4-13(12)11-14;1-23-18-6-3-11-20-19(18)17(22)10-9-16(21)15-8-7-13-4-2-5-14(13)12-15;1-13-4-3-11-20-19(13)18(22)10-9-17(21)16-8-7-14-5-2-6-15(14)12-16;19-15-5-2-10-20-18(15)17(22)9-8-16(21)14-7-6-12-3-1-4-13(12)11-14;20-17(9-10-18(21)16-6-1-2-11-19-16)15-8-7-13-4-3-5-14(13)12-15;20-15(7-8-16(21)17-18-9-2-10-19-17)14-6-5-12-3-1-4-13(12)11-14/h3-4,6,9-11,14H,5,7-8,12-13,15H2,1-2H3;3-4,6,9-11,14H,2,5,7-8,12-13H2,1H3;2,5-7,10-11H,1,3-4,8-9H2;3,6-8,11-12H,2,4-5,9-10H2,1H3;3-4,7-8,11-12H,2,5-6,9-10H2,1H3;2,5-7,10-11H,1,3-4,8-9H2;1-2,6-8,11-12H,3-5,9-10H2;2,5-6,9-11H,1,3-4,7-8H2
• InChIKey: LIFGYGPROCHDJD-UHFFFAOYSA-N
• XLogP: 30.03
• TPSA: 375.82 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 44
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2448.91
LogP ≤ 5	30.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?

The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione (CID 159358382) is 1-(2,3-dihydro-1H-inden-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione.

What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?

The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione is CCc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)CCC2.CN(C)Cc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)CCC2.COc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)CCC2.Cc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)CCC2.O=C(CCC(=O)c1ccccn1)c1ccc2c(c1)CCC2.O=C(CCC(=O)c1ncccc1C(F)(F)F)c1ccc2c(c1)CCC2.O=C(CCC(=O)c1ncccc1F)c1ccc2c(c1)CCC2.O=C(CCC(=O)c1ncccn1)c1ccc2c(c1)CCC2.

What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?

The InChIKey is LIFGYGPROCHDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2.C21H22O2.C19H16F3NO2.C19H19NO3.C19H19NO2.C18H16FNO2.C18H17NO2.C17H16N2O2/c1-23(2)15-19-6-3-4-9-20(19)22(25)13-12-21(24)18-11-10-16-7-5-8-17(16)14-18;1-2-15-6-3-4-9-19(15)21(23)13-12-20(22)18-11-10-16-7-5-8-17(16)14-18;20-19(21,22)15-5-2-10-23-18(15)17(25)9-8-16(24)14-7-6-12-3-1-4-13(12)11-14;1-23-18-6-3-11-20-19(18)17(22)10-9-16(21)15-8-7-13-4-2-5-14(13)12-15;1-13-4-3-11-20-19(13)18(22)10-9-17(21)16-8-7-14-5-2-6-15(14)12-16;19-15-5-2-10-20-18(15)17(22)9-8-16(21)14-7-6-12-3-1-4-13(12)11-14;20-17(9-10-18(21)16-6-1-2-11-19-16)15-8-7-13-4-3-5-14(13)12-15;20-15(7-8-16(21)17-18-9-2-10-19-17)14-6-5-12-3-1-4-13(12)11-14/h3-4,6,9-11,14H,5,7-8,12-13,15H2,1-2H3;3-4,6,9-11,14H,2,5,7-8,12-13H2,1H3;2,5-7,10-11H,1,3-4,8-9H2;3,6-8,11-12H,2,4-5,9-10H2,1H3;3-4,7-8,11-12H,2,5-6,9-10H2,1H3;2,5-7,10-11H,1,3-4,8-9H2;1-2,6-8,11-12H,3-5,9-10H2;2,5-6,9-11H,1,3-4,7-8H2.

What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?

1-(2,3-dihydro-1H-inden-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione has a molecular weight of 2448.91 g/mol, XLogP of 30.03, 44 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1H-inden-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione is sourced from PubChem (CID 159358382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).