1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol

C20H21F6N5O3 — CID 134590118

About 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol

1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol (PubChem CID 134590118) has the molecular formula C20H21F6N5O3 and a molecular weight of 493.41 g/mol. Its IUPAC name is 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol.

Molecular Properties

• Compound Name: 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol
• PubChem CID: 134590118
• Molecular Formula: C20H21F6N5O3
• Molecular Weight: 493.41 g/mol
• Exact Mass: 493.15
• IUPAC Name: 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol
• SMILES: Nc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C(O)C(F)(F)F)n2)cc1OC(F)(F)F
• InChI: InChI=1S/C20H21F6N5O3/c21-19(22,23)14(32)16-29-12(11-5-13(15(27)28-6-11)34-20(24,25)26)7-31(16)18-8-17(9-18,10-18)30-1-3-33-4-2-30/h5-7,14,32H,1-4,8-10H2,(H2,27,28)
• InChIKey: UPDAFITWGUHASN-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 98.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.41
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol?

The IUPAC name of 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol (CID 134590118) is 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol.

What is the SMILES notation for 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol?

The canonical SMILES for 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol is Nc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C(O)C(F)(F)F)n2)cc1OC(F)(F)F.

What is the InChIKey of 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol?

The InChIKey is UPDAFITWGUHASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F6N5O3/c21-19(22,23)14(32)16-29-12(11-5-13(15(27)28-6-11)34-20(24,25)26)7-31(16)18-8-17(9-18,10-18)30-1-3-33-4-2-30/h5-7,14,32H,1-4,8-10H2,(H2,27,28).

What are the key properties of 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol?

1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol has a molecular weight of 493.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 134590118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).