6-[(E)-2-amino-1-(3-chloropyrazin-2-yl)ethenoxy]-N-[3-(azetidin-3-yloxy)-5-(trifluoromethyl)phenyl]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-amine

About 6-[(E)-2-amino-1-(3-chloropyrazin-2-yl)ethenoxy]-N-[3-(azetidin-3-yloxy)-5-(trifluoromethyl)phenyl]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-amine

6-[(E)-2-amino-1-(3-chloropyrazin-2-yl)ethenoxy]-N-[3-(azetidin-3-yloxy)-5-(trifluoromethyl)phenyl]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 164559240) has the molecular formula C23H19Cl2F3N8O2 and a molecular weight of 567.36 g/mol. Its IUPAC name is 6-[(E)-2-amino-1-(3-chloropyrazin-2-yl)ethenoxy]-N-[3-(azetidin-3-yloxy)-5-(trifluoromethyl)phenyl]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name	6-[(E)-2-amino-1-(3-chloropyrazin-2-yl)ethenoxy]-N-[3-(azetidin-3-yloxy)-5-(trifluoromethyl)phenyl]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID	164559240
Molecular Formula	C23H19Cl2F3N8O2
Molecular Weight	567.36 g/mol
Exact Mass	566.10
IUPAC Name	6-[(E)-2-amino-1-(3-chloropyrazin-2-yl)ethenoxy]-N-[3-(azetidin-3-yloxy)-5-(trifluoromethyl)phenyl]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-amine
SMILES	Cn1c(Nc2cc(OC3CNC3)cc(C(F)(F)F)c2)nc2ncc(O/C(=C/N)c3nccnc3Cl)c(Cl)c21
InChI	InChI=1S/C23H19Cl2F3N8O2/c1-36-19-17(24)16(38-15(7-29)18-20(25)32-3-2-31-18)10-33-21(19)35-22(36)34-12-4-11(23(26,27)28)5-13(6-12)37-14-8-30-9-14/h2-7,10,14,30H,8-9,29H2,1H3,(H,33,34,35)/b15-7+
InChIKey	LWXXJUXZPFPGQB-VIZOYTHASA-N
XLogP	4.51
TPSA	125.03 Å²
H-Bond Donors	3
H-Bond Acceptors	10
Rotatable Bonds	7
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.36
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-amino-1-(3-chloropyrazin-2-yl)ethenoxy]-N-[3-(azetidin-3-yloxy)-5-(trifluoromethyl)phenyl]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-amine?

The IUPAC name of 6-[(E)-2-amino-1-(3-chloropyrazin-2-yl)ethenoxy]-N-[3-(azetidin-3-yloxy)-5-(trifluoromethyl)phenyl]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-amine (CID 164559240) is 6-[(E)-2-amino-1-(3-chloropyrazin-2-yl)ethenoxy]-N-[3-(azetidin-3-yloxy)-5-(trifluoromethyl)phenyl]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-amine.

What is the SMILES notation for 6-[(E)-2-amino-1-(3-chloropyrazin-2-yl)ethenoxy]-N-[3-(azetidin-3-yloxy)-5-(trifluoromethyl)phenyl]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-amine?

The canonical SMILES for 6-[(E)-2-amino-1-(3-chloropyrazin-2-yl)ethenoxy]-N-[3-(azetidin-3-yloxy)-5-(trifluoromethyl)phenyl]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-amine is Cn1c(Nc2cc(OC3CNC3)cc(C(F)(F)F)c2)nc2ncc(O/C(=C/N)c3nccnc3Cl)c(Cl)c21.

What is the InChIKey of 6-[(E)-2-amino-1-(3-chloropyrazin-2-yl)ethenoxy]-N-[3-(azetidin-3-yloxy)-5-(trifluoromethyl)phenyl]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-amine?

The InChIKey is LWXXJUXZPFPGQB-VIZOYTHASA-N. The full InChI is InChI=1S/C23H19Cl2F3N8O2/c1-36-19-17(24)16(38-15(7-29)18-20(25)32-3-2-31-18)10-33-21(19)35-22(36)34-12-4-11(23(26,27)28)5-13(6-12)37-14-8-30-9-14/h2-7,10,14,30H,8-9,29H2,1H3,(H,33,34,35)/b15-7+.

What are the key properties of 6-[(E)-2-amino-1-(3-chloropyrazin-2-yl)ethenoxy]-N-[3-(azetidin-3-yloxy)-5-(trifluoromethyl)phenyl]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-amine?

6-[(E)-2-amino-1-(3-chloropyrazin-2-yl)ethenoxy]-N-[3-(azetidin-3-yloxy)-5-(trifluoromethyl)phenyl]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 567.36 g/mol, XLogP of 4.51, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(E)-2-amino-1-(3-chloropyrazin-2-yl)ethenoxy]-N-[3-(azetidin-3-yloxy)-5-(trifluoromethyl)phenyl]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 164559240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).