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

C23H26F3N7O2 — CID 58336573

IUPAC2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-5-morpholin-4-ylbenzamide
SMILESCNC(=O)c1cc(N2CCOCC2)ccc1Nc1cc(Nc2cn(C)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C23H26F3N7O2/c1-14-20(13-32(3)31-14)30-21-11-19(17(12-28-21)23(24,25)26)29-18-5-4-15(10-16(18)22(34)27-2)33-6-8-35-9-7-33/h4-5,10-13H,6-9H2,1-3H3,(H,27,34)(H2,28,29,30)
InChIKeyMFWCDIXUAPBFNM-UHFFFAOYSA-N
MW489.50 g/mol
LogP3.83
Rot. Bonds6

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

2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-5-morpholin-4-ylbenzamide (PubChem CID 58336573) has the molecular formula C23H26F3N7O2 and a molecular weight of 489.50 g/mol. Its IUPAC name is 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-5-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-5-morpholin-4-ylbenzamide
PubChem CID58336573
Molecular FormulaC23H26F3N7O2
Molecular Weight489.50 g/mol
Exact Mass489.21
IUPAC Name2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-5-morpholin-4-ylbenzamide
SMILESCNC(=O)c1cc(N2CCOCC2)ccc1Nc1cc(Nc2cn(C)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C23H26F3N7O2/c1-14-20(13-32(3)31-14)30-21-11-19(17(12-28-21)23(24,25)26)29-18-5-4-15(10-16(18)22(34)27-2)33-6-8-35-9-7-33/h4-5,10-13H,6-9H2,1-3H3,(H,27,34)(H2,28,29,30)
InChIKeyMFWCDIXUAPBFNM-UHFFFAOYSA-N
XLogP3.83
TPSA96.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-5-morpholin-4-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-5-morpholin-4-ylbenzamide?
The IUPAC name of 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-5-morpholin-4-ylbenzamide (CID 58336573) is 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-5-morpholin-4-ylbenzamide.
What is the SMILES notation for 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-5-morpholin-4-ylbenzamide?
The canonical SMILES for 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-5-morpholin-4-ylbenzamide is CNC(=O)c1cc(N2CCOCC2)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-methyl-5-morpholin-4-ylbenzamide?
The InChIKey is MFWCDIXUAPBFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N7O2/c1-14-20(13-32(3)31-14)30-21-11-19(17(12-28-21)23(24,25)26)29-18-5-4-15(10-16(18)22(34)27-2)33-6-8-35-9-7-33/h4-5,10-13H,6-9H2,1-3H3,(H,27,34)(H2,28,29,30).
What are the key properties of 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-5-morpholin-4-ylbenzamide?
2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-5-morpholin-4-ylbenzamide has a molecular weight of 489.50 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 8 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-methyl-5-morpholin-4-ylbenzamide is sourced from PubChem (CID 58336573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).