2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrazin-6-yl]imidazo[4,5-b]pyridine

C19H15F4N5 — CID 118094738

IUPAC2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrazin-6-yl]imidazo[4,5-b]pyridine
SMILESCCc1nc2ncc(F)cc2n1C1=CN=CCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H15F4N5/c1-2-16-26-18-15(9-13(20)10-25-18)28(16)17-11-24-7-8-27(17)14-5-3-12(4-6-14)19(21,22)23/h3-7,9-11H,2,8H2,1H3
InChIKeyVPBINUGWISGUMW-UHFFFAOYSA-N
MW389.36 g/mol
LogP4.50
Rot. Bonds3

About 2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrazin-6-yl]imidazo[4,5-b]pyridine

2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrazin-6-yl]imidazo[4,5-b]pyridine (PubChem CID 118094738) has the molecular formula C19H15F4N5 and a molecular weight of 389.36 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrazin-6-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrazin-6-yl]imidazo[4,5-b]pyridine
PubChem CID118094738
Molecular FormulaC19H15F4N5
Molecular Weight389.36 g/mol
Exact Mass389.13
IUPAC Name2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrazin-6-yl]imidazo[4,5-b]pyridine
SMILESCCc1nc2ncc(F)cc2n1C1=CN=CCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H15F4N5/c1-2-16-26-18-15(9-13(20)10-25-18)28(16)17-11-24-7-8-27(17)14-5-3-12(4-6-14)19(21,22)23/h3-7,9-11H,2,8H2,1H3
InChIKeyVPBINUGWISGUMW-UHFFFAOYSA-N
XLogP4.50
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrazin-6-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrazin-6-yl]imidazo[4,5-b]pyridine (CID 118094738) is 2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrazin-6-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrazin-6-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrazin-6-yl]imidazo[4,5-b]pyridine is CCc1nc2ncc(F)cc2n1C1=CN=CCN1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrazin-6-yl]imidazo[4,5-b]pyridine?
The InChIKey is VPBINUGWISGUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N5/c1-2-16-26-18-15(9-13(20)10-25-18)28(16)17-11-24-7-8-27(17)14-5-3-12(4-6-14)19(21,22)23/h3-7,9-11H,2,8H2,1H3.
What are the key properties of 2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrazin-6-yl]imidazo[4,5-b]pyridine?
2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrazin-6-yl]imidazo[4,5-b]pyridine has a molecular weight of 389.36 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-1-[1-[4-(trifluoromethyl)phenyl]-2H-pyrazin-6-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 118094738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).