5-(2,6-dimethylmorpholine-4-carbonyl)-2-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-6-yl]ethylamino]pyridine-3-carbonitrile

C24H24F3N7O3 — CID 178097209

About 5-(2,6-dimethylmorpholine-4-carbonyl)-2-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-6-yl]ethylamino]pyridine-3-carbonitrile

5-(2,6-dimethylmorpholine-4-carbonyl)-2-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-6-yl]ethylamino]pyridine-3-carbonitrile (PubChem CID 178097209) has the molecular formula C24H24F3N7O3 and a molecular weight of 515.50 g/mol. Its IUPAC name is 5-(2,6-dimethylmorpholine-4-carbonyl)-2-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-6-yl]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-(2,6-dimethylmorpholine-4-carbonyl)-2-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-6-yl]ethylamino]pyridine-3-carbonitrile
• PubChem CID: 178097209
• Molecular Formula: C24H24F3N7O3
• Molecular Weight: 515.50 g/mol
• Exact Mass: 515.19
• IUPAC Name: 5-(2,6-dimethylmorpholine-4-carbonyl)-2-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-6-yl]ethylamino]pyridine-3-carbonitrile
• SMILES: Cc1nc2nc(C(F)(F)F)c(C(C)Nc3ncc(C(=O)N4CC(C)OC(C)C4)cc3C#N)cc2c(=O)[nH]1
• InChI: InChI=1S/C24H24F3N7O3/c1-11-9-34(10-12(2)37-11)23(36)16-5-15(7-28)20(29-8-16)30-13(3)17-6-18-21(31-14(4)32-22(18)35)33-19(17)24(25,26)27/h5-6,8,11-13H,9-10H2,1-4H3,(H,29,30)(H,31,32,33,35)
• InChIKey: ZRKFBCUTBMLBKC-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 136.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.50
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylmorpholine-4-carbonyl)-2-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-6-yl]ethylamino]pyridine-3-carbonitrile?

The IUPAC name of 5-(2,6-dimethylmorpholine-4-carbonyl)-2-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-6-yl]ethylamino]pyridine-3-carbonitrile (CID 178097209) is 5-(2,6-dimethylmorpholine-4-carbonyl)-2-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-6-yl]ethylamino]pyridine-3-carbonitrile.

What is the SMILES notation for 5-(2,6-dimethylmorpholine-4-carbonyl)-2-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-6-yl]ethylamino]pyridine-3-carbonitrile?

The canonical SMILES for 5-(2,6-dimethylmorpholine-4-carbonyl)-2-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-6-yl]ethylamino]pyridine-3-carbonitrile is Cc1nc2nc(C(F)(F)F)c(C(C)Nc3ncc(C(=O)N4CC(C)OC(C)C4)cc3C#N)cc2c(=O)[nH]1.

What is the InChIKey of 5-(2,6-dimethylmorpholine-4-carbonyl)-2-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-6-yl]ethylamino]pyridine-3-carbonitrile?

The InChIKey is ZRKFBCUTBMLBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O3/c1-11-9-34(10-12(2)37-11)23(36)16-5-15(7-28)20(29-8-16)30-13(3)17-6-18-21(31-14(4)32-22(18)35)33-19(17)24(25,26)27/h5-6,8,11-13H,9-10H2,1-4H3,(H,29,30)(H,31,32,33,35).

What are the key properties of 5-(2,6-dimethylmorpholine-4-carbonyl)-2-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-6-yl]ethylamino]pyridine-3-carbonitrile?

5-(2,6-dimethylmorpholine-4-carbonyl)-2-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-6-yl]ethylamino]pyridine-3-carbonitrile has a molecular weight of 515.50 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,6-dimethylmorpholine-4-carbonyl)-2-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-6-yl]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 178097209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).