2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N,5-dimethylbenzamide

C20H21F3N6O — CID 44537931

IUPAC2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N,5-dimethylbenzamide
SMILESCNC(=O)c1cc(C)ccc1Nc1cc(Nc2cn(C)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C20H21F3N6O/c1-11-5-6-15(13(7-11)19(30)24-3)26-16-8-18(25-9-14(16)20(21,22)23)27-17-10-29(4)28-12(17)2/h5-10H,1-4H3,(H,24,30)(H2,25,26,27)
InChIKeyXQVHKNHBTVITIG-UHFFFAOYSA-N
MW418.42 g/mol
LogP4.30
Rot. Bonds5

About 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N,5-dimethylbenzamide

2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N,5-dimethylbenzamide (PubChem CID 44537931) has the molecular formula C20H21F3N6O and a molecular weight of 418.42 g/mol. Its IUPAC name is 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N,5-dimethylbenzamide.

Molecular Properties

Compound Name2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N,5-dimethylbenzamide
PubChem CID44537931
Molecular FormulaC20H21F3N6O
Molecular Weight418.42 g/mol
Exact Mass418.17
IUPAC Name2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N,5-dimethylbenzamide
SMILESCNC(=O)c1cc(C)ccc1Nc1cc(Nc2cn(C)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C20H21F3N6O/c1-11-5-6-15(13(7-11)19(30)24-3)26-16-8-18(25-9-14(16)20(21,22)23)27-17-10-29(4)28-12(17)2/h5-10H,1-4H3,(H,24,30)(H2,25,26,27)
InChIKeyXQVHKNHBTVITIG-UHFFFAOYSA-N
XLogP4.30
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N,5-dimethylbenzamide 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

N-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 87259623
2-[[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide
CID 91000279
2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-6-(methoxymethyl)benzamide
CID 123423223
2-[amino-[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-4-fluoro-N-methoxybenzamide
CID 90127082
8-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methyl-3,4-dihydro-1H-isoquinoline-1-carbaldehyde
CID 174618240
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide
CID 58155019
2-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
CID 141455583
3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide
CID 25071287
2-[[2-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
CID 67076041
N-(1,3-dimethylpyrazol-4-yl)-4-methylpyridin-2-amine
CID 102806091
N,N-dimethylformamide;N-methyl-3-[[2-[(5-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide
CID 145477974
2-[[2-[(3-cyano-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
CID 67075702

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N,5-dimethylbenzamide?
The IUPAC name of 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N,5-dimethylbenzamide (CID 44537931) is 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N,5-dimethylbenzamide.
What is the SMILES notation for 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N,5-dimethylbenzamide?
The canonical SMILES for 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N,5-dimethylbenzamide is CNC(=O)c1cc(C)ccc1Nc1cc(Nc2cn(C)nc2C)ncc1C(F)(F)F.
What is the InChIKey of 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N,5-dimethylbenzamide?
The InChIKey is XQVHKNHBTVITIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O/c1-11-5-6-15(13(7-11)19(30)24-3)26-16-8-18(25-9-14(16)20(21,22)23)27-17-10-29(4)28-12(17)2/h5-10H,1-4H3,(H,24,30)(H2,25,26,27).
What are the key properties of 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N,5-dimethylbenzamide?
2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N,5-dimethylbenzamide has a molecular weight of 418.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N,5-dimethylbenzamide is sourced from PubChem (CID 44537931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).