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

C19H18F4N6O — CID 56951292

IUPAC2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(F)cc1Nc1cc(Nc2cc(C)nn2C)ncc1C(F)(F)F
InChIInChI=1S/C19H18F4N6O/c1-10-6-17(29(3)28-10)27-16-8-15(13(9-25-16)19(21,22)23)26-14-7-11(20)4-5-12(14)18(30)24-2/h4-9H,1-3H3,(H,24,30)(H2,25,26,27)
InChIKeyLACJYBWGTIRTPY-UHFFFAOYSA-N
MW422.39 g/mol
LogP4.13
Rot. Bonds5

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

2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide (PubChem CID 56951292) has the molecular formula C19H18F4N6O and a molecular weight of 422.39 g/mol. Its IUPAC name is 2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide
PubChem CID56951292
Molecular FormulaC19H18F4N6O
Molecular Weight422.39 g/mol
Exact Mass422.15
IUPAC Name2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(F)cc1Nc1cc(Nc2cc(C)nn2C)ncc1C(F)(F)F
InChIInChI=1S/C19H18F4N6O/c1-10-6-17(29(3)28-10)27-16-8-15(13(9-25-16)19(21,22)23)26-14-7-11(20)4-5-12(14)18(30)24-2/h4-9H,1-3H3,(H,24,30)(H2,25,26,27)
InChIKeyLACJYBWGTIRTPY-UHFFFAOYSA-N
XLogP4.13
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide?
The IUPAC name of 2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide (CID 56951292) is 2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide?
The canonical SMILES for 2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide is CNC(=O)c1ccc(F)cc1Nc1cc(Nc2cc(C)nn2C)ncc1C(F)(F)F.
What is the InChIKey of 2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide?
The InChIKey is LACJYBWGTIRTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N6O/c1-10-6-17(29(3)28-10)27-16-8-15(13(9-25-16)19(21,22)23)26-14-7-11(20)4-5-12(14)18(30)24-2/h4-9H,1-3H3,(H,24,30)(H2,25,26,27).
What are the key properties of 2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide?
2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide has a molecular weight of 422.39 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 56951292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).