3-cyclohexyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(4-methyl-3-pyridinyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(oxan-4-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridazin-3-ylpropan-1-one

C101H109N7O9 — CID 167586158

About 3-cyclohexyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(4-methyl-3-pyridinyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(oxan-4-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridazin-3-ylpropan-1-one

3-cyclohexyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(4-methyl-3-pyridinyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(oxan-4-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridazin-3-ylpropan-1-one (PubChem CID 167586158) has the molecular formula C101H109N7O9 and a molecular weight of 1565.02 g/mol. Its IUPAC name is 3-cyclohexyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(4-methyl-3-pyridinyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(oxan-4-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridazin-3-ylpropan-1-one.

Molecular Properties

• Compound Name: 3-cyclohexyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(4-methyl-3-pyridinyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(oxan-4-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridazin-3-ylpropan-1-one
• PubChem CID: 167586158
• Molecular Formula: C101H109N7O9
• Molecular Weight: 1565.02 g/mol
• Exact Mass: 1563.83
• IUPAC Name: 3-cyclohexyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(4-methyl-3-pyridinyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(oxan-4-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridazin-3-ylpropan-1-one
• SMILES: CCC(=O)N1CCc2cc(-c3ccc(C(=O)CCC4CCCCC4)cc3)ccc21.CCC(=O)N1CCc2cc(-c3ccc(C(=O)CCC4CCOCC4)cc3)ccc21.CCC(=O)N1CCc2cc(-c3ccc(C(=O)CCc4cccnn4)cc3)ccc21.CCC(=O)N1CCc2cc(-c3ccc(C(=O)CCc4cnccc4C)cc3)ccc21
• InChI: InChI=1S/C26H26N2O2.C26H31NO2.C25H29NO3.C24H23N3O2/c1-3-26(30)28-15-13-22-16-21(8-10-24(22)28)19-4-6-20(7-5-19)25(29)11-9-23-17-27-14-12-18(23)2;1-2-26(29)27-17-16-23-18-22(13-14-24(23)27)20-9-11-21(12-10-20)25(28)15-8-19-6-4-3-5-7-19;1-2-25(28)26-14-11-22-17-21(8-9-23(22)26)19-4-6-20(7-5-19)24(27)10-3-18-12-15-29-16-13-18;1-2-24(29)27-15-13-20-16-19(9-11-22(20)27)17-5-7-18(8-6-17)23(28)12-10-21-4-3-14-25-26-21/h4-8,10,12,14,16-17H,3,9,11,13,15H2,1-2H3;9-14,18-19H,2-8,15-17H2,1H3;4-9,17-18H,2-3,10-16H2,1H3;3-9,11,14,16H,2,10,12-13,15H2,1H3
• InChIKey: HVGQXCVKGHWPAU-UHFFFAOYSA-N
• XLogP: 20.67
• TPSA: 197.42 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1565.02
LogP ≤ 5	20.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(4-methyl-3-pyridinyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(oxan-4-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridazin-3-ylpropan-1-one?

The IUPAC name of 3-cyclohexyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(4-methyl-3-pyridinyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(oxan-4-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridazin-3-ylpropan-1-one (CID 167586158) is 3-cyclohexyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(4-methyl-3-pyridinyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(oxan-4-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridazin-3-ylpropan-1-one.

What is the SMILES notation for 3-cyclohexyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(4-methyl-3-pyridinyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(oxan-4-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridazin-3-ylpropan-1-one?

The canonical SMILES for 3-cyclohexyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(4-methyl-3-pyridinyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(oxan-4-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridazin-3-ylpropan-1-one is CCC(=O)N1CCc2cc(-c3ccc(C(=O)CCC4CCCCC4)cc3)ccc21.CCC(=O)N1CCc2cc(-c3ccc(C(=O)CCC4CCOCC4)cc3)ccc21.CCC(=O)N1CCc2cc(-c3ccc(C(=O)CCc4cccnn4)cc3)ccc21.CCC(=O)N1CCc2cc(-c3ccc(C(=O)CCc4cnccc4C)cc3)ccc21.

What is the InChIKey of 3-cyclohexyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(4-methyl-3-pyridinyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(oxan-4-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridazin-3-ylpropan-1-one?

The InChIKey is HVGQXCVKGHWPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2.C26H31NO2.C25H29NO3.C24H23N3O2/c1-3-26(30)28-15-13-22-16-21(8-10-24(22)28)19-4-6-20(7-5-19)25(29)11-9-23-17-27-14-12-18(23)2;1-2-26(29)27-17-16-23-18-22(13-14-24(23)27)20-9-11-21(12-10-20)25(28)15-8-19-6-4-3-5-7-19;1-2-25(28)26-14-11-22-17-21(8-9-23(22)26)19-4-6-20(7-5-19)24(27)10-3-18-12-15-29-16-13-18;1-2-24(29)27-15-13-20-16-19(9-11-22(20)27)17-5-7-18(8-6-17)23(28)12-10-21-4-3-14-25-26-21/h4-8,10,12,14,16-17H,3,9,11,13,15H2,1-2H3;9-14,18-19H,2-8,15-17H2,1H3;4-9,17-18H,2-3,10-16H2,1H3;3-9,11,14,16H,2,10,12-13,15H2,1H3.

What are the key properties of 3-cyclohexyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(4-methyl-3-pyridinyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(oxan-4-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridazin-3-ylpropan-1-one?

3-cyclohexyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(4-methyl-3-pyridinyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(oxan-4-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridazin-3-ylpropan-1-one has a molecular weight of 1565.02 g/mol, XLogP of 20.67, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(4-methyl-3-pyridinyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(oxan-4-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridazin-3-ylpropan-1-one is sourced from PubChem (CID 167586158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).