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

C21H24F3N5O2 — CID 134590099

IUPAC5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C3CC3)n2)cc1OC(F)(F)F
InChIInChI=1S/C21H24F3N5O2/c22-21(23,24)31-16-7-14(8-26-17(16)25)15-9-29(18(27-15)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)
InChIKeyUZBGEWLDZRCMQZ-UHFFFAOYSA-N
MW435.45 g/mol
LogP3.27
Rot. Bonds5

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

5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 134590099) has the molecular formula C21H24F3N5O2 and a molecular weight of 435.45 g/mol. Its IUPAC name is 5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
PubChem CID134590099
Molecular FormulaC21H24F3N5O2
Molecular Weight435.45 g/mol
Exact Mass435.19
IUPAC Name5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C3CC3)n2)cc1OC(F)(F)F
InChIInChI=1S/C21H24F3N5O2/c22-21(23,24)31-16-7-14(8-26-17(16)25)15-9-29(18(27-15)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)
InChIKeyUZBGEWLDZRCMQZ-UHFFFAOYSA-N
XLogP3.27
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(trifluoromethoxy)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-(trifluoromethoxy)pyridin-2-amine (CID 134590099) is 5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethoxy)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-(trifluoromethoxy)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-(trifluoromethoxy)pyridin-2-amine is Nc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C3CC3)n2)cc1OC(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-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is UZBGEWLDZRCMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O2/c22-21(23,24)31-16-7-14(8-26-17(16)25)15-9-29(18(27-15)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-(trifluoromethoxy)pyridin-2-amine?
5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 435.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 134590099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).