5-[2-cyclobutyl-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine

C23H28F3N5O2 — CID 134601002

IUPAC5-[2-cyclobutyl-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cn(C34CC(C3)C(N3CCOCC3)C4)c(C3CCC3)n2)cc1OC(F)(F)F
InChIInChI=1S/C23H28F3N5O2/c24-23(25,26)33-19-8-15(12-28-20(19)27)17-13-31(21(29-17)14-2-1-3-14)22-9-16(10-22)18(11-22)30-4-6-32-7-5-30/h8,12-14,16,18H,1-7,9-11H2,(H2,27,28)
InChIKeySAFNJZLEOXJZPN-UHFFFAOYSA-N
MW463.50 g/mol
LogP3.90
Rot. Bonds5

About 5-[2-cyclobutyl-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine

5-[2-cyclobutyl-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 134601002) has the molecular formula C23H28F3N5O2 and a molecular weight of 463.50 g/mol. Its IUPAC name is 5-[2-cyclobutyl-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-cyclobutyl-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
PubChem CID134601002
Molecular FormulaC23H28F3N5O2
Molecular Weight463.50 g/mol
Exact Mass463.22
IUPAC Name5-[2-cyclobutyl-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cn(C34CC(C3)C(N3CCOCC3)C4)c(C3CCC3)n2)cc1OC(F)(F)F
InChIInChI=1S/C23H28F3N5O2/c24-23(25,26)33-19-8-15(12-28-20(19)27)17-13-31(21(29-17)14-2-1-3-14)22-9-16(10-22)18(11-22)30-4-6-32-7-5-30/h8,12-14,16,18H,1-7,9-11H2,(H2,27,28)
InChIKeySAFNJZLEOXJZPN-UHFFFAOYSA-N
XLogP3.90
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-cyclobutyl-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine with MolForge

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Related Compounds

(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-2-yl]-2-methylpropan-1-ol
CID 134601065
5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 134601218
(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol
CID 135185713
5-[2-cyclopropyl-1-[(1R,5S,6R)-3-(2-fluoroethyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 134315947
5-[1-[(2S)-4-(4-methylpiperazin-1-yl)-2-bicyclo[2.1.1]hexanyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 134601222
N-[2-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]spiro[3.3]heptan-6-yl]acetamide
CID 167500058
5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[2.2.0]hexanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 135193466
5-[2-cyclopropyl-1-[(5R,6S)-3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 134316039
5-[1-(2-ethyl-3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 135193334
5-[2-(cyclopropylmethyl)-1-[(3R)-3-(4-methylpiperazin-1-yl)-1-bicyclo[2.1.1]hexanyl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134601000
5-[1-(cyclopropylmethyl)-5-(3-morpholin-4-ylcyclopentyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 162616449
1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]but-3-enyl]piperidin-4-ol
CID 135193416

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclobutyl-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-[2-cyclobutyl-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine (CID 134601002) is 5-[2-cyclobutyl-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[2-cyclobutyl-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-[2-cyclobutyl-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine is Nc1ncc(-c2cn(C34CC(C3)C(N3CCOCC3)C4)c(C3CCC3)n2)cc1OC(F)(F)F.
What is the InChIKey of 5-[2-cyclobutyl-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is SAFNJZLEOXJZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N5O2/c24-23(25,26)33-19-8-15(12-28-20(19)27)17-13-31(21(29-17)14-2-1-3-14)22-9-16(10-22)18(11-22)30-4-6-32-7-5-30/h8,12-14,16,18H,1-7,9-11H2,(H2,27,28).
What are the key properties of 5-[2-cyclobutyl-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
5-[2-cyclobutyl-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 463.50 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclobutyl-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 134601002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).