5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

C21H24F3N5O — CID 134601235

IUPAC5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C3CC3)n2)cc1C(F)(F)F
InChIInChI=1S/C21H24F3N5O/c22-21(23,24)15-7-14(8-26-17(15)25)16-9-29(18(27-16)13-1-2-13)20-10-19(11-20,12-20)28-3-5-30-6-4-28/h7-9,13H,1-6,10-12H2,(H2,25,26)
InChIKeyYAYNYEURQAEQDE-UHFFFAOYSA-N
MW419.45 g/mol
LogP3.39
Rot. Bonds4

About 5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 134601235) has the molecular formula C21H24F3N5O and a molecular weight of 419.45 g/mol. Its IUPAC name is 5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID134601235
Molecular FormulaC21H24F3N5O
Molecular Weight419.45 g/mol
Exact Mass419.19
IUPAC Name5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C3CC3)n2)cc1C(F)(F)F
InChIInChI=1S/C21H24F3N5O/c22-21(23,24)15-7-14(8-26-17(15)25)16-9-29(18(27-16)13-1-2-13)20-10-19(11-20,12-20)28-3-5-30-6-4-28/h7-9,13H,1-6,10-12H2,(H2,25,26)
InChIKeyYAYNYEURQAEQDE-UHFFFAOYSA-N
XLogP3.39
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 134601235) is 5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C3CC3)n2)cc1C(F)(F)F.
What is the InChIKey of 5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YAYNYEURQAEQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O/c22-21(23,24)15-7-14(8-26-17(15)25)16-9-29(18(27-16)13-1-2-13)20-10-19(11-20,12-20)28-3-5-30-6-4-28/h7-9,13H,1-6,10-12H2,(H2,25,26).
What are the key properties of 5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 419.45 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 134601235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).