5-methyl-6-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C23H21F3N8O — CID 25057281

About 5-methyl-6-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

5-methyl-6-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 25057281) has the molecular formula C23H21F3N8O and a molecular weight of 482.47 g/mol. Its IUPAC name is 5-methyl-6-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-6-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
• PubChem CID: 25057281
• Molecular Formula: C23H21F3N8O
• Molecular Weight: 482.47 g/mol
• Exact Mass: 482.18
• IUPAC Name: 5-methyl-6-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
• SMILES: CNc1cc(-n2nc(C)cc2Nc2nc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)ncn1
• InChI: InChI=1S/C23H21F3N8O/c1-13-7-8-17(22(35)30-16-6-4-5-15(10-16)23(24,25)26)31-21(13)32-20-9-14(2)33-34(20)19-11-18(27-3)28-12-29-19/h4-12H,1-3H3,(H,30,35)(H,31,32)(H,27,28,29)
• InChIKey: WERNPLALJJXSDD-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 109.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.47
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?

The IUPAC name of 5-methyl-6-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 25057281) is 5-methyl-6-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-methyl-6-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?

The canonical SMILES for 5-methyl-6-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is CNc1cc(-n2nc(C)cc2Nc2nc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)ncn1.

What is the InChIKey of 5-methyl-6-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?

The InChIKey is WERNPLALJJXSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N8O/c1-13-7-8-17(22(35)30-16-6-4-5-15(10-16)23(24,25)26)31-21(13)32-20-9-14(2)33-34(20)19-11-18(27-3)28-12-29-19/h4-12H,1-3H3,(H,30,35)(H,31,32)(H,27,28,29).

What are the key properties of 5-methyl-6-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?

5-methyl-6-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 482.47 g/mol, XLogP of 4.73, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-6-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 25057281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).