2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-methyl-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-(1,1-difluoroethyl)-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one

C76H72F8N6O6 — CID 158071760

IUPAC2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-methyl-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-(1,1-difluoroethyl)-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one
SMILESCC(F)(F)c1cccc2c1C(=O)C(C(=O)Cc1ccc(N3C4CCC3CC4)nc1C(F)(F)F)=CC2.Cc1cc(N2C3CCC2CC3)ncc1CC(=O)C1=CCc2cccc(C)c2C1=O.Cc1cccc2c1C(=O)C(C(=O)Cc1ccc(N3C4CCC3CC4)nc1C(F)(F)F)=CC2
InChIInChI=1S/C26H23F5N2O2.C25H23F3N2O2.C25H26N2O2/c1-25(27,28)19-4-2-3-14-5-11-18(23(35)22(14)19)20(34)13-15-6-12-21(32-24(15)26(29,30)31)33-16-7-8-17(33)10-9-16;1-14-3-2-4-15-5-11-19(23(32)22(14)15)20(31)13-16-6-12-21(29-24(16)25(26,27)28)30-17-7-8-18(30)10-9-17;1-15-4-3-5-17-6-11-21(25(29)24(15)17)22(28)13-18-14-26-23(12-16(18)2)27-19-7-8-20(27)10-9-19/h2-4,6,11-12,16-17H,5,7-10,13H2,1H3;2-4,6,11-12,17-18H,5,7-10,13H2,1H3;3-5,11-12,14,19-20H,6-10,13H2,1-2H3
InChIKeyFLXARZYROGWYQN-UHFFFAOYSA-N
MW1317.43 g/mol
LogP15.14
Rot. Bonds13

About 2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-methyl-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-(1,1-difluoroethyl)-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one

2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-methyl-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-(1,1-difluoroethyl)-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one (PubChem CID 158071760) has the molecular formula C76H72F8N6O6 and a molecular weight of 1317.43 g/mol. Its IUPAC name is 2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-methyl-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-(1,1-difluoroethyl)-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one.

Molecular Properties

Compound Name2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-methyl-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-(1,1-difluoroethyl)-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one
PubChem CID158071760
Molecular FormulaC76H72F8N6O6
Molecular Weight1317.43 g/mol
Exact Mass1316.54
IUPAC Name2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-methyl-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-(1,1-difluoroethyl)-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one
SMILESCC(F)(F)c1cccc2c1C(=O)C(C(=O)Cc1ccc(N3C4CCC3CC4)nc1C(F)(F)F)=CC2.Cc1cc(N2C3CCC2CC3)ncc1CC(=O)C1=CCc2cccc(C)c2C1=O.Cc1cccc2c1C(=O)C(C(=O)Cc1ccc(N3C4CCC3CC4)nc1C(F)(F)F)=CC2
InChIInChI=1S/C26H23F5N2O2.C25H23F3N2O2.C25H26N2O2/c1-25(27,28)19-4-2-3-14-5-11-18(23(35)22(14)19)20(34)13-15-6-12-21(32-24(15)26(29,30)31)33-16-7-8-17(33)10-9-16;1-14-3-2-4-15-5-11-19(23(32)22(14)15)20(31)13-16-6-12-21(29-24(16)25(26,27)28)30-17-7-8-18(30)10-9-17;1-15-4-3-5-17-6-11-21(25(29)24(15)17)22(28)13-18-14-26-23(12-16(18)2)27-19-7-8-20(27)10-9-19/h2-4,6,11-12,16-17H,5,7-10,13H2,1H3;2-4,6,11-12,17-18H,5,7-10,13H2,1H3;3-5,11-12,14,19-20H,6-10,13H2,1-2H3
InChIKeyFLXARZYROGWYQN-UHFFFAOYSA-N
XLogP15.14
TPSA150.81 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001317.43
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-methyl-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-(1,1-difluoroethyl)-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-methyl-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-(1,1-difluoroethyl)-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one?
The IUPAC name of 2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-methyl-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-(1,1-difluoroethyl)-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one (CID 158071760) is 2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-methyl-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-(1,1-difluoroethyl)-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one.
What is the SMILES notation for 2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-methyl-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-(1,1-difluoroethyl)-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one?
The canonical SMILES for 2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-methyl-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-(1,1-difluoroethyl)-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one is CC(F)(F)c1cccc2c1C(=O)C(C(=O)Cc1ccc(N3C4CCC3CC4)nc1C(F)(F)F)=CC2.Cc1cc(N2C3CCC2CC3)ncc1CC(=O)C1=CCc2cccc(C)c2C1=O.Cc1cccc2c1C(=O)C(C(=O)Cc1ccc(N3C4CCC3CC4)nc1C(F)(F)F)=CC2.
What is the InChIKey of 2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-methyl-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-(1,1-difluoroethyl)-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one?
The InChIKey is FLXARZYROGWYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F5N2O2.C25H23F3N2O2.C25H26N2O2/c1-25(27,28)19-4-2-3-14-5-11-18(23(35)22(14)19)20(34)13-15-6-12-21(32-24(15)26(29,30)31)33-16-7-8-17(33)10-9-16;1-14-3-2-4-15-5-11-19(23(32)22(14)15)20(31)13-16-6-12-21(29-24(16)25(26,27)28)30-17-7-8-18(30)10-9-17;1-15-4-3-5-17-6-11-21(25(29)24(15)17)22(28)13-18-14-26-23(12-16(18)2)27-19-7-8-20(27)10-9-19/h2-4,6,11-12,16-17H,5,7-10,13H2,1H3;2-4,6,11-12,17-18H,5,7-10,13H2,1H3;3-5,11-12,14,19-20H,6-10,13H2,1-2H3.
What are the key properties of 2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-methyl-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-(1,1-difluoroethyl)-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one?
2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-methyl-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-(1,1-difluoroethyl)-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one has a molecular weight of 1317.43 g/mol, XLogP of 15.14, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-methyl-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-(1,1-difluoroethyl)-4H-naphthalen-1-one;2-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)-3-pyridinyl]acetyl]-8-methyl-4H-naphthalen-1-one is sourced from PubChem (CID 158071760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).