3-methyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(7-methyl-1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one

C104H104N8O8 — CID 167698888

About 3-methyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(7-methyl-1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one

3-methyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(7-methyl-1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one (PubChem CID 167698888) has the molecular formula C104H104N8O8 and a molecular weight of 1594.02 g/mol. Its IUPAC name is 3-methyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(7-methyl-1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

• Compound Name: 3-methyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(7-methyl-1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one
• PubChem CID: 167698888
• Molecular Formula: C104H104N8O8
• Molecular Weight: 1594.02 g/mol
• Exact Mass: 1592.80
• IUPAC Name: 3-methyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(7-methyl-1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one
• SMILES: CCC(=O)N1CCc2cc(-c3ccc(C(=O)CC(C)(C)c4cccnc4)cc3)ccc21.CCC(=O)N1CCc2cc(-c3ccc(C(=O)CC(C)c4cccnc4)cc3)ccc21.CCC(=O)N1CCc2cc(-c3ccc(C(=O)CCc4cccnc4)cc3)cc(C)c21.CCC(=O)N1CCc2cc(-c3ccc(C(=O)CCc4cccnc4)cc3)ccc21
• InChI: InChI=1S/C27H28N2O2.2C26H26N2O2.C25H24N2O2/c1-4-26(31)29-15-13-22-16-21(11-12-24(22)29)19-7-9-20(10-8-19)25(30)17-27(2,3)23-6-5-14-28-18-23;1-3-25(30)28-14-12-22-16-23(15-18(2)26(22)28)20-7-9-21(10-8-20)24(29)11-6-19-5-4-13-27-17-19;1-3-26(30)28-14-12-22-16-21(10-11-24(22)28)19-6-8-20(9-7-19)25(29)15-18(2)23-5-4-13-27-17-23;1-2-25(29)27-15-13-22-16-21(10-11-23(22)27)19-6-8-20(9-7-19)24(28)12-5-18-4-3-14-26-17-18/h5-12,14,16,18H,4,13,15,17H2,1-3H3;4-5,7-10,13,15-17H,3,6,11-12,14H2,1-2H3;4-11,13,16-18H,3,12,14-15H2,1-2H3;3-4,6-11,14,16-17H,2,5,12-13,15H2,1H3
• InChIKey: YBPPGTQHZLKMGI-UHFFFAOYSA-N
• XLogP: 21.06
• TPSA: 201.08 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1594.02
LogP ≤ 5	21.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(7-methyl-1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one?

The IUPAC name of 3-methyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(7-methyl-1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one (CID 167698888) is 3-methyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(7-methyl-1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one.

What is the SMILES notation for 3-methyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(7-methyl-1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one?

The canonical SMILES for 3-methyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(7-methyl-1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one is CCC(=O)N1CCc2cc(-c3ccc(C(=O)CC(C)(C)c4cccnc4)cc3)ccc21.CCC(=O)N1CCc2cc(-c3ccc(C(=O)CC(C)c4cccnc4)cc3)ccc21.CCC(=O)N1CCc2cc(-c3ccc(C(=O)CCc4cccnc4)cc3)cc(C)c21.CCC(=O)N1CCc2cc(-c3ccc(C(=O)CCc4cccnc4)cc3)ccc21.

What is the InChIKey of 3-methyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(7-methyl-1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one?

The InChIKey is YBPPGTQHZLKMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2.2C26H26N2O2.C25H24N2O2/c1-4-26(31)29-15-13-22-16-21(11-12-24(22)29)19-7-9-20(10-8-19)25(30)17-27(2,3)23-6-5-14-28-18-23;1-3-25(30)28-14-12-22-16-23(15-18(2)26(22)28)20-7-9-21(10-8-20)24(29)11-6-19-5-4-13-27-17-19;1-3-26(30)28-14-12-22-16-21(10-11-24(22)28)19-6-8-20(9-7-19)25(29)15-18(2)23-5-4-13-27-17-23;1-2-25(29)27-15-13-22-16-21(10-11-23(22)27)19-6-8-20(9-7-19)24(28)12-5-18-4-3-14-26-17-18/h5-12,14,16,18H,4,13,15,17H2,1-3H3;4-5,7-10,13,15-17H,3,6,11-12,14H2,1-2H3;4-11,13,16-18H,3,12,14-15H2,1-2H3;3-4,6-11,14,16-17H,2,5,12-13,15H2,1H3.

What are the key properties of 3-methyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(7-methyl-1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one?

3-methyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(7-methyl-1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 1594.02 g/mol, XLogP of 21.06, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(7-methyl-1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 167698888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).