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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 6539010
CID 6539010
CID 9543517
CID 9543517
CID 802942
CID 802942
CID 5329420
CID 5329420
CID 6538966
CID 6538966
CID 6538967
CID 6538967
CID 11647397
CID 11647397
CID 23646630
CID 23646630
CID 24983496
CID 24983496
CID 86278982
CID 86278982
CID 90389602
CID 90389602
CID 11532065
CID 11532065

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).