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

C19H15ClF2N6O — CID 118094810

IUPAC6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine
SMILESCCc1nc2ncc(Cl)cc2n1-c1cncc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C19H15ClF2N6O/c1-2-16-27-18-14(7-11(20)8-24-18)28(16)17-10-23-9-15(26-17)25-12-3-5-13(6-4-12)29-19(21)22/h3-10,19H,2H2,1H3,(H,25,26)
InChIKeyGJALXFDQKDXEOV-UHFFFAOYSA-N
MW416.82 g/mol
LogP4.77
Rot. Bonds6

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

6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine (PubChem CID 118094810) has the molecular formula C19H15ClF2N6O and a molecular weight of 416.82 g/mol. Its IUPAC name is 6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine
PubChem CID118094810
Molecular FormulaC19H15ClF2N6O
Molecular Weight416.82 g/mol
Exact Mass416.10
IUPAC Name6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine
SMILESCCc1nc2ncc(Cl)cc2n1-c1cncc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C19H15ClF2N6O/c1-2-16-27-18-14(7-11(20)8-24-18)28(16)17-10-23-9-15(26-17)25-12-3-5-13(6-4-12)29-19(21)22/h3-10,19H,2H2,1H3,(H,25,26)
InChIKeyGJALXFDQKDXEOV-UHFFFAOYSA-N
XLogP4.77
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.82
LogP ≤ 54.77
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-(difluoromethoxy)phenyl]pyrazin-2-amine?
The IUPAC name of 6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine (CID 118094810) is 6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine.
What is the SMILES notation for 6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine?
The canonical SMILES for 6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine is CCc1nc2ncc(Cl)cc2n1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine?
The InChIKey is GJALXFDQKDXEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N6O/c1-2-16-27-18-14(7-11(20)8-24-18)28(16)17-10-23-9-15(26-17)25-12-3-5-13(6-4-12)29-19(21)22/h3-10,19H,2H2,1H3,(H,25,26).
What are the key properties of 6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine?
6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine has a molecular weight of 416.82 g/mol, XLogP of 4.77, 6 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-(difluoromethoxy)phenyl]pyrazin-2-amine is sourced from PubChem (CID 118094810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).