3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile

C17H20F3N7O — CID 71459486

About 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile

3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile (PubChem CID 71459486) has the molecular formula C17H20F3N7O and a molecular weight of 395.39 g/mol. Its IUPAC name is 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile
• PubChem CID: 71459486
• Molecular Formula: C17H20F3N7O
• Molecular Weight: 395.39 g/mol
• Exact Mass: 395.17
• IUPAC Name: 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile
• SMILES: CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C(F)(F)F
• InChI: InChI=1S/C17H20F3N7O/c1-10(9-27(3)4)28-16-13(6-21)23-8-15(26-16)25-14-5-12(22-2)11(7-24-14)17(18,19)20/h5,7-8,10H,9H2,1-4H3,(H2,22,24,25,26)/t10-/m1/s1
• InChIKey: WQYWYUZPLMKVID-SNVBAGLBSA-N
• XLogP: 2.88
• TPSA: 98.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.39
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile?

The IUPAC name of 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile (CID 71459486) is 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile is CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C(F)(F)F.

What is the InChIKey of 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile?

The InChIKey is WQYWYUZPLMKVID-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H20F3N7O/c1-10(9-27(3)4)28-16-13(6-21)23-8-15(26-16)25-14-5-12(22-2)11(7-24-14)17(18,19)20/h5,7-8,10H,9H2,1-4H3,(H2,22,24,25,26)/t10-/m1/s1.

What are the key properties of 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile?

3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile has a molecular weight of 395.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 71459486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).