5-[2-(2,2,2-trifluoroethyl)-1-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

C18H16F9N5 — CID 140846883

IUPAC5-[2-(2,2,2-trifluoroethyl)-1-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cn(C3C4CN(CC(F)(F)F)CC43)c(CC(F)(F)F)n2)cc1C(F)(F)F
InChIInChI=1S/C18H16F9N5/c19-16(20,21)2-13-30-12(8-1-11(18(25,26)27)15(28)29-3-8)6-32(13)14-9-4-31(5-10(9)14)7-17(22,23)24/h1,3,6,9-10,14H,2,4-5,7H2,(H2,28,29)
InChIKeyLNGIWYBSMXWCQL-UHFFFAOYSA-N
MW473.34 g/mol
LogP4.32
Rot. Bonds4

About 5-[2-(2,2,2-trifluoroethyl)-1-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[2-(2,2,2-trifluoroethyl)-1-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 140846883) has the molecular formula C18H16F9N5 and a molecular weight of 473.34 g/mol. Its IUPAC name is 5-[2-(2,2,2-trifluoroethyl)-1-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(2,2,2-trifluoroethyl)-1-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID140846883
Molecular FormulaC18H16F9N5
Molecular Weight473.34 g/mol
Exact Mass473.13
IUPAC Name5-[2-(2,2,2-trifluoroethyl)-1-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cn(C3C4CN(CC(F)(F)F)CC43)c(CC(F)(F)F)n2)cc1C(F)(F)F
InChIInChI=1S/C18H16F9N5/c19-16(20,21)2-13-30-12(8-1-11(18(25,26)27)15(28)29-3-8)6-32(13)14-9-4-31(5-10(9)14)7-17(22,23)24/h1,3,6,9-10,14H,2,4-5,7H2,(H2,28,29)
InChIKeyLNGIWYBSMXWCQL-UHFFFAOYSA-N
XLogP4.32
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-(2,2,2-trifluoroethyl)-1-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]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

Related Compounds

5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134295179
5-[1-[(5S,6S)-1-methyl-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,2,2-trifluoroethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134315904
5-[2-cyclopropyl-1-[(5S)-2-(2,2,2-trifluoroethyl)-2-azabicyclo[2.1.1]hexan-5-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 142298677
1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 134280854
5-[1-[(1S,5R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134295221
1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 140846861
(1S,5R)-3-ethyl-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane
CID 134295061
5-(1,2-dicyclopropylimidazol-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 134280965
5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine
CID 134295133
5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134280986
5-[2-cyclopropyl-1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134280998
5-[1-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine
CID 134295135

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,2,2-trifluoroethyl)-1-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[2-(2,2,2-trifluoroethyl)-1-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 140846883) is 5-[2-(2,2,2-trifluoroethyl)-1-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2-(2,2,2-trifluoroethyl)-1-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2-(2,2,2-trifluoroethyl)-1-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(-c2cn(C3C4CN(CC(F)(F)F)CC43)c(CC(F)(F)F)n2)cc1C(F)(F)F.
What is the InChIKey of 5-[2-(2,2,2-trifluoroethyl)-1-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is LNGIWYBSMXWCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F9N5/c19-16(20,21)2-13-30-12(8-1-11(18(25,26)27)15(28)29-3-8)6-32(13)14-9-4-31(5-10(9)14)7-17(22,23)24/h1,3,6,9-10,14H,2,4-5,7H2,(H2,28,29).
What are the key properties of 5-[2-(2,2,2-trifluoroethyl)-1-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[2-(2,2,2-trifluoroethyl)-1-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 473.34 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,2,2-trifluoroethyl)-1-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 140846883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).