6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine

C19H14ClF3N6O — CID 118094814

IUPAC6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
SMILESCCc1nc2ncc(Cl)cc2n1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C19H14ClF3N6O/c1-2-16-28-18-14(7-11(20)8-25-18)29(16)17-10-24-9-15(27-17)26-12-3-5-13(6-4-12)30-19(21,22)23/h3-10H,2H2,1H3,(H,26,27)
InChIKeyCXIYMUAMIMJAMK-UHFFFAOYSA-N
MW434.81 g/mol
LogP5.07
Rot. Bonds5

About 6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine

6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine (PubChem CID 118094814) has the molecular formula C19H14ClF3N6O and a molecular weight of 434.81 g/mol. Its IUPAC name is 6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
PubChem CID118094814
Molecular FormulaC19H14ClF3N6O
Molecular Weight434.81 g/mol
Exact Mass434.09
IUPAC Name6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
SMILESCCc1nc2ncc(Cl)cc2n1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C19H14ClF3N6O/c1-2-16-28-18-14(7-11(20)8-25-18)29(16)17-10-24-9-15(27-17)26-12-3-5-13(6-4-12)30-19(21,22)23/h3-10H,2H2,1H3,(H,26,27)
InChIKeyCXIYMUAMIMJAMK-UHFFFAOYSA-N
XLogP5.07
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.81
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine?
The IUPAC name of 6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine (CID 118094814) is 6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine.
What is the SMILES notation for 6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine?
The canonical SMILES for 6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine is CCc1nc2ncc(Cl)cc2n1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine?
The InChIKey is CXIYMUAMIMJAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N6O/c1-2-16-28-18-14(7-11(20)8-25-18)29(16)17-10-24-9-15(27-17)26-12-3-5-13(6-4-12)30-19(21,22)23/h3-10H,2H2,1H3,(H,26,27).
What are the key properties of 6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine?
6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine has a molecular weight of 434.81 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine is sourced from PubChem (CID 118094814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).