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

C22H26F3N5O — CID 134601165

IUPAC5-[2-(cyclopropylmethyl)-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(CC3CC3)n2)cc1C(F)(F)F
InChIInChI=1S/C22H26F3N5O/c23-22(24,25)16-8-15(9-27-19(16)26)17-10-30(18(28-17)7-14-1-2-14)21-11-20(12-21,13-21)29-3-5-31-6-4-29/h8-10,14H,1-7,11-13H2,(H2,26,27)
InChIKeyWRFWYIDHBLUGOI-UHFFFAOYSA-N
MW433.48 g/mol
LogP3.46
Rot. Bonds5

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

5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 134601165) has the molecular formula C22H26F3N5O and a molecular weight of 433.48 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID134601165
Molecular FormulaC22H26F3N5O
Molecular Weight433.48 g/mol
Exact Mass433.21
IUPAC Name5-[2-(cyclopropylmethyl)-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(CC3CC3)n2)cc1C(F)(F)F
InChIInChI=1S/C22H26F3N5O/c23-22(24,25)16-8-15(9-27-19(16)26)17-10-30(18(28-17)7-14-1-2-14)21-11-20(12-21,13-21)29-3-5-31-6-4-29/h8-10,14H,1-7,11-13H2,(H2,26,27)
InChIKeyWRFWYIDHBLUGOI-UHFFFAOYSA-N
XLogP3.46
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethyl)-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-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 134601165) is 5-[2-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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(CC3CC3)n2)cc1C(F)(F)F.
What is the InChIKey of 5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WRFWYIDHBLUGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O/c23-22(24,25)16-8-15(9-27-19(16)26)17-10-30(18(28-17)7-14-1-2-14)21-11-20(12-21,13-21)29-3-5-31-6-4-29/h8-10,14H,1-7,11-13H2,(H2,26,27).
What are the key properties of 5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 433.48 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 134601165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).