4-[4-[6-chloro-2-(2,2,2-trifluoro-1-phenylethoxy)-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine

C24H20ClF3N4O2 — CID 90160452

IUPAC4-[4-[6-chloro-2-(2,2,2-trifluoro-1-phenylethoxy)-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine
SMILESFC(F)(F)C(Oc1nc2nc(-c3ccc(N4CCOCC4)cc3)c(Cl)cc2[nH]1)c1ccccc1
InChIInChI=1S/C24H20ClF3N4O2/c25-18-14-19-22(30-20(18)15-6-8-17(9-7-15)32-10-12-33-13-11-32)31-23(29-19)34-21(24(26,27)28)16-4-2-1-3-5-16/h1-9,14,21H,10-13H2,(H,29,30,31)
InChIKeyLDTZUIAOFAHKLW-UHFFFAOYSA-N
MW488.90 g/mol
LogP5.80
Rot. Bonds5

About 4-[4-[6-chloro-2-(2,2,2-trifluoro-1-phenylethoxy)-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine

4-[4-[6-chloro-2-(2,2,2-trifluoro-1-phenylethoxy)-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine (PubChem CID 90160452) has the molecular formula C24H20ClF3N4O2 and a molecular weight of 488.90 g/mol. Its IUPAC name is 4-[4-[6-chloro-2-(2,2,2-trifluoro-1-phenylethoxy)-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[6-chloro-2-(2,2,2-trifluoro-1-phenylethoxy)-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine
PubChem CID90160452
Molecular FormulaC24H20ClF3N4O2
Molecular Weight488.90 g/mol
Exact Mass488.12
IUPAC Name4-[4-[6-chloro-2-(2,2,2-trifluoro-1-phenylethoxy)-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine
SMILESFC(F)(F)C(Oc1nc2nc(-c3ccc(N4CCOCC4)cc3)c(Cl)cc2[nH]1)c1ccccc1
InChIInChI=1S/C24H20ClF3N4O2/c25-18-14-19-22(30-20(18)15-6-8-17(9-7-15)32-10-12-33-13-11-32)31-23(29-19)34-21(24(26,27)28)16-4-2-1-3-5-16/h1-9,14,21H,10-13H2,(H,29,30,31)
InChIKeyLDTZUIAOFAHKLW-UHFFFAOYSA-N
XLogP5.80
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.90
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-chloro-2-(2,2,2-trifluoro-1-phenylethoxy)-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[6-chloro-2-(2,2,2-trifluoro-1-phenylethoxy)-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine (CID 90160452) is 4-[4-[6-chloro-2-(2,2,2-trifluoro-1-phenylethoxy)-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[6-chloro-2-(2,2,2-trifluoro-1-phenylethoxy)-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[6-chloro-2-(2,2,2-trifluoro-1-phenylethoxy)-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine is FC(F)(F)C(Oc1nc2nc(-c3ccc(N4CCOCC4)cc3)c(Cl)cc2[nH]1)c1ccccc1.
What is the InChIKey of 4-[4-[6-chloro-2-(2,2,2-trifluoro-1-phenylethoxy)-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine?
The InChIKey is LDTZUIAOFAHKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N4O2/c25-18-14-19-22(30-20(18)15-6-8-17(9-7-15)32-10-12-33-13-11-32)31-23(29-19)34-21(24(26,27)28)16-4-2-1-3-5-16/h1-9,14,21H,10-13H2,(H,29,30,31).
What are the key properties of 4-[4-[6-chloro-2-(2,2,2-trifluoro-1-phenylethoxy)-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine?
4-[4-[6-chloro-2-(2,2,2-trifluoro-1-phenylethoxy)-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine has a molecular weight of 488.90 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-chloro-2-(2,2,2-trifluoro-1-phenylethoxy)-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine is sourced from PubChem (CID 90160452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).