1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine

C26H19F6N7O2 — CID 118094787

IUPAC1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine
SMILESCCc1nc2ncc(Nc3ccc(OC(F)F)c(F)c3)cc2n1-c1cncc(Nc2ccc(OC(F)F)c(F)c2)n1
InChIInChI=1S/C26H19F6N7O2/c1-2-22-38-24-18(9-15(10-34-24)35-13-3-5-19(16(27)7-13)40-25(29)30)39(22)23-12-33-11-21(37-23)36-14-4-6-20(17(28)8-14)41-26(31)32/h3-12,25-26,35H,2H2,1H3,(H,36,37)
InChIKeyKRAYLYNXIZQYIX-UHFFFAOYSA-N
MW575.47 g/mol
LogP6.74
Rot. Bonds10

About 1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine

1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine (PubChem CID 118094787) has the molecular formula C26H19F6N7O2 and a molecular weight of 575.47 g/mol. Its IUPAC name is 1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine
PubChem CID118094787
Molecular FormulaC26H19F6N7O2
Molecular Weight575.47 g/mol
Exact Mass575.15
IUPAC Name1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine
SMILESCCc1nc2ncc(Nc3ccc(OC(F)F)c(F)c3)cc2n1-c1cncc(Nc2ccc(OC(F)F)c(F)c2)n1
InChIInChI=1S/C26H19F6N7O2/c1-2-22-38-24-18(9-15(10-34-24)35-13-3-5-19(16(27)7-13)40-25(29)30)39(22)23-12-33-11-21(37-23)36-14-4-6-20(17(28)8-14)41-26(31)32/h3-12,25-26,35H,2H2,1H3,(H,36,37)
InChIKeyKRAYLYNXIZQYIX-UHFFFAOYSA-N
XLogP6.74
TPSA99.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.47
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine?
The IUPAC name of 1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine (CID 118094787) is 1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine.
What is the SMILES notation for 1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine?
The canonical SMILES for 1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine is CCc1nc2ncc(Nc3ccc(OC(F)F)c(F)c3)cc2n1-c1cncc(Nc2ccc(OC(F)F)c(F)c2)n1.
What is the InChIKey of 1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine?
The InChIKey is KRAYLYNXIZQYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F6N7O2/c1-2-22-38-24-18(9-15(10-34-24)35-13-3-5-19(16(27)7-13)40-25(29)30)39(22)23-12-33-11-21(37-23)36-14-4-6-20(17(28)8-14)41-26(31)32/h3-12,25-26,35H,2H2,1H3,(H,36,37).
What are the key properties of 1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine?
1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine has a molecular weight of 575.47 g/mol, XLogP of 6.74, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 118094787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).