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

C22H26F3N5O3 — CID 134601168

IUPAC5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C3CCCO3)n2)cc1OC(F)(F)F
InChIInChI=1S/C22H26F3N5O3/c23-22(24,25)33-17-8-14(9-27-18(17)26)15-10-30(19(28-15)16-2-1-5-32-16)21-11-20(12-21,13-21)29-3-6-31-7-4-29/h8-10,16H,1-7,11-13H2,(H2,26,27)
InChIKeyYNIINJYAXIGWLW-UHFFFAOYSA-N
MW465.48 g/mol
LogP3.24
Rot. Bonds5

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

5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 134601168) has the molecular formula C22H26F3N5O3 and a molecular weight of 465.48 g/mol. Its IUPAC name is 5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
PubChem CID134601168
Molecular FormulaC22H26F3N5O3
Molecular Weight465.48 g/mol
Exact Mass465.20
IUPAC Name5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C3CCCO3)n2)cc1OC(F)(F)F
InChIInChI=1S/C22H26F3N5O3/c23-22(24,25)33-17-8-14(9-27-18(17)26)15-10-30(19(28-15)16-2-1-5-32-16)21-11-20(12-21,13-21)29-3-6-31-7-4-29/h8-10,16H,1-7,11-13H2,(H2,26,27)
InChIKeyYNIINJYAXIGWLW-UHFFFAOYSA-N
XLogP3.24
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine (CID 134601168) is 5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine is Nc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C3CCCO3)n2)cc1OC(F)(F)F.
What is the InChIKey of 5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is YNIINJYAXIGWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O3/c23-22(24,25)33-17-8-14(9-27-18(17)26)15-10-30(19(28-15)16-2-1-5-32-16)21-11-20(12-21,13-21)29-3-6-31-7-4-29/h8-10,16H,1-7,11-13H2,(H2,26,27).
What are the key properties of 5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 465.48 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 134601168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).