1-(2,3-dihydro-1H-inden-5-yl)-4-(2-fluorophenyl)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-(2-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methylphenyl)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-phenylbutane-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

C188H178F5N7O21 — CID 158552669

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-4-(2-fluorophenyl)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-(2-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methylphenyl)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-phenylbutane-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
SMILESCOc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)CCC2.Cc1cccc(C(=O)CCC(=O)c2ccc3c(c2)CCC3)c1.Cc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)CCC2.Cc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)CCC2.O=C(CCC(=O)c1ccc2c(c1)CCC2)c1ccccc1.O=C(CCC(=O)c1ccccc1F)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
InChIInChI=1S/2C20H20O2.C19H16F3NO2.C19H17FO2.C19H19NO3.C19H19NO2.C19H18O2.C18H16FNO2.C18H17NO2.C17H16N2O2/c1-14-4-2-7-17(12-14)19(21)10-11-20(22)18-9-8-15-5-3-6-16(15)13-18;1-14-5-2-3-8-18(14)20(22)12-11-19(21)17-10-9-15-6-4-7-16(15)13-17;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;20-17-7-2-1-6-16(17)19(22)11-10-18(21)15-9-8-13-4-3-5-14(13)12-15;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;20-18(15-5-2-1-3-6-15)11-12-19(21)17-10-9-14-7-4-8-16(14)13-17;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/h2,4,7-9,12-13H,3,5-6,10-11H2,1H3;2-3,5,8-10,13H,4,6-7,11-12H2,1H3;2,5-7,10-11H,1,3-4,8-9H2;1-2,6-9,12H,3-5,10-11H2;3,6-8,11-12H,2,4-5,9-10H2,1H3;3-4,7-8,11-12H,2,5-6,9-10H2,1H3;1-3,5-6,9-10,13H,4,7-8,11-12H2;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
InChIKeyHPXLCJVULOAWCM-UHFFFAOYSA-N
MW2966.51 g/mol
LogP38.21
Rot. Bonds51

About 1-(2,3-dihydro-1H-inden-5-yl)-4-(2-fluorophenyl)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-(2-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methylphenyl)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-phenylbutane-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-fluorophenyl)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-(2-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methylphenyl)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-phenylbutane-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 158552669) has the molecular formula C188H178F5N7O21 and a molecular weight of 2966.51 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-4-(2-fluorophenyl)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-(2-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methylphenyl)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-phenylbutane-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 Name1-(2,3-dihydro-1H-inden-5-yl)-4-(2-fluorophenyl)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-(2-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methylphenyl)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-phenylbutane-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 CID158552669
Molecular FormulaC188H178F5N7O21
Molecular Weight2966.51 g/mol
Exact Mass2964.30
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-4-(2-fluorophenyl)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-(2-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methylphenyl)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-phenylbutane-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
SMILESCOc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)CCC2.Cc1cccc(C(=O)CCC(=O)c2ccc3c(c2)CCC3)c1.Cc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)CCC2.Cc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)CCC2.O=C(CCC(=O)c1ccc2c(c1)CCC2)c1ccccc1.O=C(CCC(=O)c1ccccc1F)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
InChIInChI=1S/2C20H20O2.C19H16F3NO2.C19H17FO2.C19H19NO3.C19H19NO2.C19H18O2.C18H16FNO2.C18H17NO2.C17H16N2O2/c1-14-4-2-7-17(12-14)19(21)10-11-20(22)18-9-8-15-5-3-6-16(15)13-18;1-14-5-2-3-8-18(14)20(22)12-11-19(21)17-10-9-15-6-4-7-16(15)13-17;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;20-17-7-2-1-6-16(17)19(22)11-10-18(21)15-9-8-13-4-3-5-14(13)12-15;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;20-18(15-5-2-1-3-6-15)11-12-19(21)17-10-9-14-7-4-8-16(14)13-17;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/h2,4,7-9,12-13H,3,5-6,10-11H2,1H3;2-3,5,8-10,13H,4,6-7,11-12H2,1H3;2,5-7,10-11H,1,3-4,8-9H2;1-2,6-9,12H,3-5,10-11H2;3,6-8,11-12H,2,4-5,9-10H2,1H3;3-4,7-8,11-12H,2,5-6,9-10H2,1H3;1-3,5-6,9-10,13H,4,7-8,11-12H2;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
InChIKeyHPXLCJVULOAWCM-UHFFFAOYSA-N
XLogP38.21
TPSA440.86 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds51
Heavy Atoms221
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002966.51
LogP ≤ 538.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 1-(2,3-dihydro-1H-inden-5-yl)-4-(2-fluorophenyl)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-(2-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methylphenyl)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-phenylbutane-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-(2-fluorophenyl)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-(2-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methylphenyl)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-phenylbutane-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-fluorophenyl)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-(2-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methylphenyl)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-phenylbutane-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 158552669) is 1-(2,3-dihydro-1H-inden-5-yl)-4-(2-fluorophenyl)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-(2-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methylphenyl)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-phenylbutane-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-fluorophenyl)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-(2-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methylphenyl)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-phenylbutane-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-fluorophenyl)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-(2-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methylphenyl)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-phenylbutane-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 COc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)CCC2.Cc1cccc(C(=O)CCC(=O)c2ccc3c(c2)CCC3)c1.Cc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)CCC2.Cc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)CCC2.O=C(CCC(=O)c1ccc2c(c1)CCC2)c1ccccc1.O=C(CCC(=O)c1ccccc1F)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-fluorophenyl)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-(2-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methylphenyl)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-phenylbutane-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 HPXLCJVULOAWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H20O2.C19H16F3NO2.C19H17FO2.C19H19NO3.C19H19NO2.C19H18O2.C18H16FNO2.C18H17NO2.C17H16N2O2/c1-14-4-2-7-17(12-14)19(21)10-11-20(22)18-9-8-15-5-3-6-16(15)13-18;1-14-5-2-3-8-18(14)20(22)12-11-19(21)17-10-9-15-6-4-7-16(15)13-17;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;20-17-7-2-1-6-16(17)19(22)11-10-18(21)15-9-8-13-4-3-5-14(13)12-15;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;20-18(15-5-2-1-3-6-15)11-12-19(21)17-10-9-14-7-4-8-16(14)13-17;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/h2,4,7-9,12-13H,3,5-6,10-11H2,1H3;2-3,5,8-10,13H,4,6-7,11-12H2,1H3;2,5-7,10-11H,1,3-4,8-9H2;1-2,6-9,12H,3-5,10-11H2;3,6-8,11-12H,2,4-5,9-10H2,1H3;3-4,7-8,11-12H,2,5-6,9-10H2,1H3;1-3,5-6,9-10,13H,4,7-8,11-12H2;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-fluorophenyl)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-(2-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methylphenyl)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-phenylbutane-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-fluorophenyl)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-(2-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methylphenyl)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-phenylbutane-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 2966.51 g/mol, XLogP of 38.21, 51 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-4-(2-fluorophenyl)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-(2-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-(3-methylphenyl)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-phenylbutane-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 158552669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).