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

C23H28F3N5O — CID 134299205

IUPAC5-[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
SMILESCC(C)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12C3C(N4CCCOCC4)C[C@@H]1[C@H]32
InChIInChI=1S/C23H28F3N5O/c1-12(2)21-29-16(13-8-15(23(24,25)26)20(27)28-10-13)11-31(21)22-14-9-17(19(22)18(14)22)30-4-3-6-32-7-5-30/h8,10-12,14,17-19H,3-7,9H2,1-2H3,(H2,27,28)/t14-,17?,18-,19?,22?/m1/s1
InChIKeyRRUOZAJTSKXSQI-ZYVLTHMRSA-N
MW447.51 g/mol
LogP3.74
Rot. Bonds4

About 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

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 (PubChem CID 134299205) has the molecular formula C23H28F3N5O and a molecular weight of 447.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID134299205
Molecular FormulaC23H28F3N5O
Molecular Weight447.51 g/mol
Exact Mass447.22
IUPAC Name5-[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
SMILESCC(C)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12C3C(N4CCCOCC4)C[C@@H]1[C@H]32
InChIInChI=1S/C23H28F3N5O/c1-12(2)21-29-16(13-8-15(23(24,25)26)20(27)28-10-13)11-31(21)22-14-9-17(19(22)18(14)22)30-4-3-6-32-7-5-30/h8,10-12,14,17-19H,3-7,9H2,1-2H3,(H2,27,28)/t14-,17?,18-,19?,22?/m1/s1
InChIKeyRRUOZAJTSKXSQI-ZYVLTHMRSA-N
XLogP3.74
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 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-[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-[(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
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
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-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134280986
5-[5-[(5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hex-1(6)-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 154971528
5-[1-(2,2-difluoroethyl)-5-[(1S,2S,7R)-4-morpholin-4-yl-7-tricyclo[3.2.0.02,7]heptanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 154971399
5-[2-cyclopropyl-1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134280998
(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-[5-(1-bicyclo[1.1.1]pentanyl)pentyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 135349817
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12C3C(N4CCCOCC4)C[C@@H]1[C@H]32.
What is the InChIKey of 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?
The InChIKey is RRUOZAJTSKXSQI-ZYVLTHMRSA-N. The full InChI is InChI=1S/C23H28F3N5O/c1-12(2)21-29-16(13-8-15(23(24,25)26)20(27)28-10-13)11-31(21)22-14-9-17(19(22)18(14)22)30-4-3-6-32-7-5-30/h8,10-12,14,17-19H,3-7,9H2,1-2H3,(H2,27,28)/t14-,17?,18-,19?,22?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 447.51 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134299205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).