5-[1-[(1R,5S,6R)-3-(oxan-4-yl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

C22H26F3N5O — CID 134299032

IUPAC5-[1-[(1R,5S,6R)-3-(oxan-4-yl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1[C@@]12C3[C@H]1[C@H]2CN3C1CCOCC1
InChIInChI=1S/C22H26F3N5O/c1-11(2)20-28-16(12-7-14(22(23,24)25)19(26)27-8-12)10-30(20)21-15-9-29(18(21)17(15)21)13-3-5-31-6-4-13/h7-8,10-11,13,15,17-18H,3-6,9H2,1-2H3,(H2,26,27)/t15-,17-,18?,21-/m1/s1
InChIKeyVSQYVGFRUMHATF-CFNKLUPZSA-N
MW433.48 g/mol
LogP3.49
Rot. Bonds4

About 5-[1-[(1R,5S,6R)-3-(oxan-4-yl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[1-[(1R,5S,6R)-3-(oxan-4-yl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 134299032) has the molecular formula C22H26F3N5O and a molecular weight of 433.48 g/mol. Its IUPAC name is 5-[1-[(1R,5S,6R)-3-(oxan-4-yl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-[(1R,5S,6R)-3-(oxan-4-yl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID134299032
Molecular FormulaC22H26F3N5O
Molecular Weight433.48 g/mol
Exact Mass433.21
IUPAC Name5-[1-[(1R,5S,6R)-3-(oxan-4-yl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1[C@@]12C3[C@H]1[C@H]2CN3C1CCOCC1
InChIInChI=1S/C22H26F3N5O/c1-11(2)20-28-16(12-7-14(22(23,24)25)19(26)27-8-12)10-30(20)21-15-9-29(18(21)17(15)21)13-3-5-31-6-4-13/h7-8,10-11,13,15,17-18H,3-6,9H2,1-2H3,(H2,26,27)/t15-,17-,18?,21-/m1/s1
InChIKeyVSQYVGFRUMHATF-CFNKLUPZSA-N
XLogP3.49
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[1-[(1R,5S,6R)-3-(oxan-4-yl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine with MolForge

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Related Compounds

1-[(1R,5S,6R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azatricyclo[3.1.0.02,6]hexan-3-yl]ethanone
CID 134299184
5-[2-(cyclopropylmethyl)-1-[(1S,5R,6S)-3-(oxetan-3-yl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134315956
5-[1-[(5R,6R)-3-(1,4-oxazepan-4-yl)-1-tricyclo[3.1.0.02,6]hexanyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134299205
5-[1-(4-morpholin-4-ylcyclohexyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134299194
5-[1-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134299117
5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134280986
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-[5-(1-bicyclo[1.1.1]pentanyl)pentyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 135349817
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-(1,2-dicyclopropylimidazol-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 134280965
5-[1-[(5R,6R)-3-(4-methylpiperazin-1-yl)-1-tricyclo[3.1.0.02,6]hexanyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 134315945
5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 163773224

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1R,5S,6R)-3-(oxan-4-yl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[1-[(1R,5S,6R)-3-(oxan-4-yl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 134299032) is 5-[1-[(1R,5S,6R)-3-(oxan-4-yl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[1-[(1R,5S,6R)-3-(oxan-4-yl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[1-[(1R,5S,6R)-3-(oxan-4-yl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is CC(C)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1[C@@]12C3[C@H]1[C@H]2CN3C1CCOCC1.
What is the InChIKey of 5-[1-[(1R,5S,6R)-3-(oxan-4-yl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VSQYVGFRUMHATF-CFNKLUPZSA-N. The full InChI is InChI=1S/C22H26F3N5O/c1-11(2)20-28-16(12-7-14(22(23,24)25)19(26)27-8-12)10-30(20)21-15-9-29(18(21)17(15)21)13-3-5-31-6-4-13/h7-8,10-11,13,15,17-18H,3-6,9H2,1-2H3,(H2,26,27)/t15-,17-,18?,21-/m1/s1.
What are the key properties of 5-[1-[(1R,5S,6R)-3-(oxan-4-yl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[1-[(1R,5S,6R)-3-(oxan-4-yl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 433.48 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1R,5S,6R)-3-(oxan-4-yl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 134299032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).