1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one

C21H19F3N6OS — CID 157102571

IUPAC1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one
SMILESCC(CC(=O)c1cc2c(cn1)nc(N)n2C)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C21H19F3N6OS/c1-11(7-17(31)14-8-16-15(9-26-14)29-19(25)30(16)2)18-10-27-20(32-18)28-13-5-3-12(4-6-13)21(22,23)24/h3-6,8-11H,7H2,1-2H3,(H2,25,29)(H,27,28)
InChIKeyAFXWHPOIYGTPET-UHFFFAOYSA-N
MW460.49 g/mol
LogP5.15
Rot. Bonds6

About 1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one

1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one (PubChem CID 157102571) has the molecular formula C21H19F3N6OS and a molecular weight of 460.49 g/mol. Its IUPAC name is 1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one.

Molecular Properties

Compound Name1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one
PubChem CID157102571
Molecular FormulaC21H19F3N6OS
Molecular Weight460.49 g/mol
Exact Mass460.13
IUPAC Name1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one
SMILESCC(CC(=O)c1cc2c(cn1)nc(N)n2C)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C21H19F3N6OS/c1-11(7-17(31)14-8-16-15(9-26-14)29-19(25)30(16)2)18-10-27-20(32-18)28-13-5-3-12(4-6-13)21(22,23)24/h3-6,8-11H,7H2,1-2H3,(H2,25,29)(H,27,28)
InChIKeyAFXWHPOIYGTPET-UHFFFAOYSA-N
XLogP5.15
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.49
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one 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

6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide
CID 159828006
1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one
CID 152997764
(3S)-1-(3-bromoimidazo[1,2-a]pyrazin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one
CID 149134513
1-(6-pyridin-3-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one
CID 158574460
1-(2-methylsulfonylethyl)-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
CID 88575129
N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide
CID 46842332
1-[2-(methylamino)-2-oxoethyl]-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
CID 90959471
butyl 1-methylpyrazolo[3,4-c]pyridine-5-carboxylate;butyl 2-methylpyrazolo[3,4-c]pyridine-5-carboxylate;butyl 1H-pyrazolo[3,4-c]pyridine-5-carboxylate;2-methylpyrazolo[3,4-c]pyridine-5-carboxylic acid;1-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one
CID 158525920
1-(1-acetylazetidin-3-yl)-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
CID 88575163
2-chloro-1-nitro-4-(trifluoromethyl)benzene;2-(2-methoxyethoxy)-1-nitro-4-(trifluoromethyl)benzene;2-(2-methoxyethoxy)-4-(trifluoromethyl)aniline;3-[2-[2-(2-methoxyethoxy)-4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-1-(1-methylimidazo[4,5-c]pyridin-6-yl)butan-1-one
CID 158879087
7-[[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]amino]-1-methyl-2-(trifluoromethyl)quinolin-4-one
CID 166517293
N-[1-[2-[3-(2-aminopropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide
CID 88579118

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one?
The IUPAC name of 1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one (CID 157102571) is 1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one.
What is the SMILES notation for 1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one?
The canonical SMILES for 1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one is CC(CC(=O)c1cc2c(cn1)nc(N)n2C)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one?
The InChIKey is AFXWHPOIYGTPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6OS/c1-11(7-17(31)14-8-16-15(9-26-14)29-19(25)30(16)2)18-10-27-20(32-18)28-13-5-3-12(4-6-13)21(22,23)24/h3-6,8-11H,7H2,1-2H3,(H2,25,29)(H,27,28).
What are the key properties of 1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one?
1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one has a molecular weight of 460.49 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one is sourced from PubChem (CID 157102571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).