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

C17H20F3N7O — CID 78074725

IUPAC3-[1-(dimethylamino)propan-2-yloxy]-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESCNc1cc(Nc2cnc(C#N)c(OC(C)CN(C)C)n2)ncc1C(F)(F)F
InChIInChI=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)
InChIKeyWQYWYUZPLMKVID-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.88
Rot. Bonds7

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

3-[1-(dimethylamino)propan-2-yloxy]-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile (PubChem CID 78074725) has the molecular formula C17H20F3N7O and a molecular weight of 395.39 g/mol. Its IUPAC name is 3-[1-(dimethylamino)propan-2-yloxy]-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[1-(dimethylamino)propan-2-yloxy]-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile
PubChem CID78074725
Molecular FormulaC17H20F3N7O
Molecular Weight395.39 g/mol
Exact Mass395.17
IUPAC Name3-[1-(dimethylamino)propan-2-yloxy]-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESCNc1cc(Nc2cnc(C#N)c(OC(C)CN(C)C)n2)ncc1C(F)(F)F
InChIInChI=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)
InChIKeyWQYWYUZPLMKVID-UHFFFAOYSA-N
XLogP2.88
TPSA98.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)propan-2-yloxy]-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[1-(dimethylamino)propan-2-yloxy]-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile (CID 78074725) is 3-[1-(dimethylamino)propan-2-yloxy]-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[1-(dimethylamino)propan-2-yloxy]-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[1-(dimethylamino)propan-2-yloxy]-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile is CNc1cc(Nc2cnc(C#N)c(OC(C)CN(C)C)n2)ncc1C(F)(F)F.
What is the InChIKey of 3-[1-(dimethylamino)propan-2-yloxy]-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The InChIKey is WQYWYUZPLMKVID-UHFFFAOYSA-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).
What are the key properties of 3-[1-(dimethylamino)propan-2-yloxy]-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
3-[1-(dimethylamino)propan-2-yloxy]-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-[1-(dimethylamino)propan-2-yloxy]-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 78074725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).