2-[[5-(ethylsulfonimidoyl)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]oxy]-2-methylpropanenitrile

C18H17F3N6O2S — CID 146467202

IUPAC2-[[5-(ethylsulfonimidoyl)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]oxy]-2-methylpropanenitrile
SMILES[H]N=S(=O)(CC)c1cc(OC(C)(C)C#N)cnc1-c1cn2cnc(C(F)(F)F)cc2n1
InChIInChI=1S/C18H17F3N6O2S/c1-4-30(23,28)13-5-11(29-17(2,3)9-22)7-24-16(13)12-8-27-10-25-14(18(19,20)21)6-15(27)26-12/h5-8,10,23H,4H2,1-3H3
InChIKeyZNFPXEWJRBDRGX-UHFFFAOYSA-N
MW438.44 g/mol
LogP3.92
Rot. Bonds5

About 2-[[5-(ethylsulfonimidoyl)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]oxy]-2-methylpropanenitrile

2-[[5-(ethylsulfonimidoyl)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]oxy]-2-methylpropanenitrile (PubChem CID 146467202) has the molecular formula C18H17F3N6O2S and a molecular weight of 438.44 g/mol. Its IUPAC name is 2-[[5-(ethylsulfonimidoyl)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]oxy]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[[5-(ethylsulfonimidoyl)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]oxy]-2-methylpropanenitrile
PubChem CID146467202
Molecular FormulaC18H17F3N6O2S
Molecular Weight438.44 g/mol
Exact Mass438.11
IUPAC Name2-[[5-(ethylsulfonimidoyl)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]oxy]-2-methylpropanenitrile
SMILES[H]N=S(=O)(CC)c1cc(OC(C)(C)C#N)cnc1-c1cn2cnc(C(F)(F)F)cc2n1
InChIInChI=1S/C18H17F3N6O2S/c1-4-30(23,28)13-5-11(29-17(2,3)9-22)7-24-16(13)12-8-27-10-25-14(18(19,20)21)6-15(27)26-12/h5-8,10,23H,4H2,1-3H3
InChIKeyZNFPXEWJRBDRGX-UHFFFAOYSA-N
XLogP3.92
TPSA117.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylsulfonimidoyl)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]oxy]-2-methylpropanenitrile?
The IUPAC name of 2-[[5-(ethylsulfonimidoyl)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]oxy]-2-methylpropanenitrile (CID 146467202) is 2-[[5-(ethylsulfonimidoyl)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]oxy]-2-methylpropanenitrile.
What is the SMILES notation for 2-[[5-(ethylsulfonimidoyl)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]oxy]-2-methylpropanenitrile?
The canonical SMILES for 2-[[5-(ethylsulfonimidoyl)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]oxy]-2-methylpropanenitrile is [H]N=S(=O)(CC)c1cc(OC(C)(C)C#N)cnc1-c1cn2cnc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-[[5-(ethylsulfonimidoyl)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]oxy]-2-methylpropanenitrile?
The InChIKey is ZNFPXEWJRBDRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O2S/c1-4-30(23,28)13-5-11(29-17(2,3)9-22)7-24-16(13)12-8-27-10-25-14(18(19,20)21)6-15(27)26-12/h5-8,10,23H,4H2,1-3H3.
What are the key properties of 2-[[5-(ethylsulfonimidoyl)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]oxy]-2-methylpropanenitrile?
2-[[5-(ethylsulfonimidoyl)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]oxy]-2-methylpropanenitrile has a molecular weight of 438.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylsulfonimidoyl)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]oxy]-2-methylpropanenitrile is sourced from PubChem (CID 146467202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).