4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;bis(4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one)

C81H84F9N9O9 — CID 158406154

About 4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;bis(4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one)

4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;bis(4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one) (PubChem CID 158406154) has the molecular formula C81H84F9N9O9 and a molecular weight of 1498.60 g/mol. Its IUPAC name is 4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;bis(4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one).

Molecular Properties

• Compound Name: 4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;bis(4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one)
• PubChem CID: 158406154
• Molecular Formula: C81H84F9N9O9
• Molecular Weight: 1498.60 g/mol
• Exact Mass: 1497.62
• IUPAC Name: 4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;bis(4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one)
• SMILES: COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n(C(C)C2CCNC(C(F)(F)F)C2)c2ccccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n(C(C)c2ccnc(C(F)(F)F)c2)c2ccccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n(C(C)c2ccnc(C(F)(F)F)c2)c2ccccc12
• InChI: InChI=1S/C27H32F3N3O3.2C27H26F3N3O3/c3*1-15-13-23(36-4)20(26(35)32-15)9-10-22(34)25-17(3)33(21-8-6-5-7-19(21)25)16(2)18-11-12-31-24(14-18)27(28,29)30/h5-8,13,16,18,24,31H,9-12,14H2,1-4H3,(H,32,35);2*5-8,11-14,16H,9-10H2,1-4H3,(H,32,35)
• InChIKey: GYSLOAPKHJEUSE-UHFFFAOYSA-N
• XLogP: 16.85
• TPSA: 230.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1498.60
LogP ≤ 5	16.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;bis(4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one)?

The IUPAC name of 4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;bis(4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one) (CID 158406154) is 4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;bis(4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one).

What is the SMILES notation for 4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;bis(4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one)?

The canonical SMILES for 4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;bis(4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one) is COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n(C(C)C2CCNC(C(F)(F)F)C2)c2ccccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n(C(C)c2ccnc(C(F)(F)F)c2)c2ccccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n(C(C)c2ccnc(C(F)(F)F)c2)c2ccccc12.

What is the InChIKey of 4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;bis(4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one)?

The InChIKey is GYSLOAPKHJEUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N3O3.2C27H26F3N3O3/c3*1-15-13-23(36-4)20(26(35)32-15)9-10-22(34)25-17(3)33(21-8-6-5-7-19(21)25)16(2)18-11-12-31-24(14-18)27(28,29)30/h5-8,13,16,18,24,31H,9-12,14H2,1-4H3,(H,32,35);2*5-8,11-14,16H,9-10H2,1-4H3,(H,32,35).

What are the key properties of 4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;bis(4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one)?

4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;bis(4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one) has a molecular weight of 1498.60 g/mol, XLogP of 16.85, 21 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;bis(4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one) is sourced from PubChem (CID 158406154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).