[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone

C32H24F4N4O — CID 168960949

About [(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone

[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 168960949) has the molecular formula C32H24F4N4O and a molecular weight of 556.56 g/mol. Its IUPAC name is [(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

• Compound Name: [(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone
• PubChem CID: 168960949
• Molecular Formula: C32H24F4N4O
• Molecular Weight: 556.56 g/mol
• Exact Mass: 556.19
• IUPAC Name: [(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone
• SMILES: Cc1cc2c(cnn2-c2ccc(F)cc2)cc1[C@]12CN(C(=O)c3cccc(C(F)(F)F)n3)C[C@H]1[C@@H]2c1ccccc1
• InChI: InChI=1S/C32H24F4N4O/c1-19-14-27-21(16-37-40(27)23-12-10-22(33)11-13-23)15-24(19)31-18-39(17-25(31)29(31)20-6-3-2-4-7-20)30(41)26-8-5-9-28(38-26)32(34,35)36/h2-16,25,29H,17-18H2,1H3/t25-,29-,31+/m0/s1
• InChIKey: QZRZGUMCKXUVOJ-ZITMISKDSA-N
• XLogP: 6.69
• TPSA: 51.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.56
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone?

The IUPAC name of [(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone (CID 168960949) is [(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone.

What is the SMILES notation for [(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone?

The canonical SMILES for [(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1[C@]12CN(C(=O)c3cccc(C(F)(F)F)n3)C[C@H]1[C@@H]2c1ccccc1.

What is the InChIKey of [(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone?

The InChIKey is QZRZGUMCKXUVOJ-ZITMISKDSA-N. The full InChI is InChI=1S/C32H24F4N4O/c1-19-14-27-21(16-37-40(27)23-12-10-22(33)11-13-23)15-24(19)31-18-39(17-25(31)29(31)20-6-3-2-4-7-20)30(41)26-8-5-9-28(38-26)32(34,35)36/h2-16,25,29H,17-18H2,1H3/t25-,29-,31+/m0/s1.

What are the key properties of [(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone?

[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 556.56 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 168960949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).