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

C19H22F3N5O3 — CID 134601083

IUPAC[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]methanol
SMILESNc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(CO)n2)cc1OC(F)(F)F
InChIInChI=1S/C19H22F3N5O3/c20-19(21,22)30-14-5-12(6-24-16(14)23)13-7-27(15(8-28)25-13)18-9-17(10-18,11-18)26-1-3-29-4-2-26/h5-7,28H,1-4,8-11H2,(H2,23,24)
InChIKeyIMOBDANLNJQFHK-UHFFFAOYSA-N
MW425.41 g/mol
LogP1.88
Rot. Bonds5

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

[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]methanol (PubChem CID 134601083) has the molecular formula C19H22F3N5O3 and a molecular weight of 425.41 g/mol. Its IUPAC name is [4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]methanol.

Molecular Properties

Compound Name[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]methanol
PubChem CID134601083
Molecular FormulaC19H22F3N5O3
Molecular Weight425.41 g/mol
Exact Mass425.17
IUPAC Name[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]methanol
SMILESNc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(CO)n2)cc1OC(F)(F)F
InChIInChI=1S/C19H22F3N5O3/c20-19(21,22)30-14-5-12(6-24-16(14)23)13-7-27(15(8-28)25-13)18-9-17(10-18,11-18)26-1-3-29-4-2-26/h5-7,28H,1-4,8-11H2,(H2,23,24)
InChIKeyIMOBDANLNJQFHK-UHFFFAOYSA-N
XLogP1.88
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]methanol?
The IUPAC name of [4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]methanol (CID 134601083) is [4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]methanol.
What is the SMILES notation for [4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]methanol?
The canonical SMILES for [4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]methanol is Nc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(CO)n2)cc1OC(F)(F)F.
What is the InChIKey of [4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]methanol?
The InChIKey is IMOBDANLNJQFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O3/c20-19(21,22)30-14-5-12(6-24-16(14)23)13-7-27(15(8-28)25-13)18-9-17(10-18,11-18)26-1-3-29-4-2-26/h5-7,28H,1-4,8-11H2,(H2,23,24).
What are the key properties of [4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]methanol?
[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]methanol has a molecular weight of 425.41 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]methanol is sourced from PubChem (CID 134601083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).