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

C20H21F6N5O2 — CID 134601014

IUPAC1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol
SMILESNc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C(O)C(F)(F)F)n2)cc1C(F)(F)F
InChIInChI=1S/C20H21F6N5O2/c21-19(22,23)12-5-11(6-28-15(12)27)13-7-31(16(29-13)14(32)20(24,25)26)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)
InChIKeyYZHZXQQOTGYMHG-UHFFFAOYSA-N
MW477.41 g/mol
LogP3.11
Rot. Bonds4

About 1-[4-[6-amino-5-(trifluoromethyl)-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-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol (PubChem CID 134601014) has the molecular formula C20H21F6N5O2 and a molecular weight of 477.41 g/mol. Its IUPAC name is 1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol
PubChem CID134601014
Molecular FormulaC20H21F6N5O2
Molecular Weight477.41 g/mol
Exact Mass477.16
IUPAC Name1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol
SMILESNc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C(O)C(F)(F)F)n2)cc1C(F)(F)F
InChIInChI=1S/C20H21F6N5O2/c21-19(22,23)12-5-11(6-28-15(12)27)13-7-31(16(29-13)14(32)20(24,25)26)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)
InChIKeyYZHZXQQOTGYMHG-UHFFFAOYSA-N
XLogP3.11
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-amino-5-(trifluoromethyl)-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-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol (CID 134601014) is 1-[4-[6-amino-5-(trifluoromethyl)-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-(trifluoromethyl)-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-(trifluoromethyl)-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)cc1C(F)(F)F.
What is the InChIKey of 1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol?
The InChIKey is YZHZXQQOTGYMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F6N5O2/c21-19(22,23)12-5-11(6-28-15(12)27)13-7-31(16(29-13)14(32)20(24,25)26)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-(trifluoromethyl)-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-(trifluoromethyl)-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 477.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-amino-5-(trifluoromethyl)-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 134601014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).