5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethoxy)pyridin-2-amine

C13H15F3N4O — CID 142298603

IUPAC5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethoxy)pyridin-2-amine
SMILESCC(C)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C
InChIInChI=1S/C13H15F3N4O/c1-7(2)12-19-9(6-20(12)3)8-4-10(11(17)18-5-8)21-13(14,15)16/h4-7H,1-3H3,(H2,17,18)
InChIKeyJPXVMQACJMEIKP-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.09
Rot. Bonds3

About 5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethoxy)pyridin-2-amine

5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 142298603) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is 5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethoxy)pyridin-2-amine
PubChem CID142298603
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC Name5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethoxy)pyridin-2-amine
SMILESCC(C)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C
InChIInChI=1S/C13H15F3N4O/c1-7(2)12-19-9(6-20(12)3)8-4-10(11(17)18-5-8)21-13(14,15)16/h4-7H,1-3H3,(H2,17,18)
InChIKeyJPXVMQACJMEIKP-UHFFFAOYSA-N
XLogP3.09
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethoxy)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-[(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
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
1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[(2S)-2-bicyclo[2.1.1]hexanyl]imidazol-2-yl]-2-methylpropan-1-ol
CID 134601089
(1S)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4-propylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol
CID 134590142
(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
(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-[2-cyclopropyl-1-[(1R,5S)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 134281005
5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)but-3-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 167193748
(5R)-bicyclo[3.1.0]hexane;ethane;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine
CID 144866370
5-[5-[(5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 126489447
5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134280986
3-(difluoromethoxy)-5-[1-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine
CID 134281015

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethoxy)pyridin-2-amine (CID 142298603) is 5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethoxy)pyridin-2-amine is CC(C)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C.
What is the InChIKey of 5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is JPXVMQACJMEIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c1-7(2)12-19-9(6-20(12)3)8-4-10(11(17)18-5-8)21-13(14,15)16/h4-7H,1-3H3,(H2,17,18).
What are the key properties of 5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethoxy)pyridin-2-amine?
5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 300.28 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 142298603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).