2,2-dimethyl-1-pyrazin-2-yl-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-1-ol

C22H22F3N3O2 — CID 118443851

IUPAC2,2-dimethyl-1-pyrazin-2-yl-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-1-ol
SMILESCC(C)(C)C(O)(c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1)c1cnccn1
InChIInChI=1S/C22H22F3N3O2/c1-20(2,3)22(29,19-13-26-10-11-27-19)18-9-6-16(12-28-18)15-4-7-17(8-5-15)30-14-21(23,24)25/h4-13,29H,14H2,1-3H3
InChIKeyVPENJCRLJCXIKZ-UHFFFAOYSA-N
MW417.43 g/mol
LogP4.76
Rot. Bonds5

About 2,2-dimethyl-1-pyrazin-2-yl-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-1-ol

2,2-dimethyl-1-pyrazin-2-yl-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-1-ol (PubChem CID 118443851) has the molecular formula C22H22F3N3O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is 2,2-dimethyl-1-pyrazin-2-yl-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-pyrazin-2-yl-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-1-ol
PubChem CID118443851
Molecular FormulaC22H22F3N3O2
Molecular Weight417.43 g/mol
Exact Mass417.17
IUPAC Name2,2-dimethyl-1-pyrazin-2-yl-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-1-ol
SMILESCC(C)(C)C(O)(c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1)c1cnccn1
InChIInChI=1S/C22H22F3N3O2/c1-20(2,3)22(29,19-13-26-10-11-27-19)18-9-6-16(12-28-18)15-4-7-17(8-5-15)30-14-21(23,24)25/h4-13,29H,14H2,1-3H3
InChIKeyVPENJCRLJCXIKZ-UHFFFAOYSA-N
XLogP4.76
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-pyrazin-2-yl-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-pyrazin-2-yl-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-1-ol (CID 118443851) is 2,2-dimethyl-1-pyrazin-2-yl-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-pyrazin-2-yl-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-pyrazin-2-yl-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-1-ol is CC(C)(C)C(O)(c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1)c1cnccn1.
What is the InChIKey of 2,2-dimethyl-1-pyrazin-2-yl-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-1-ol?
The InChIKey is VPENJCRLJCXIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O2/c1-20(2,3)22(29,19-13-26-10-11-27-19)18-9-6-16(12-28-18)15-4-7-17(8-5-15)30-14-21(23,24)25/h4-13,29H,14H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-pyrazin-2-yl-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-1-ol?
2,2-dimethyl-1-pyrazin-2-yl-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-1-ol has a molecular weight of 417.43 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-pyrazin-2-yl-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 118443851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).