4-[5-chloro-3,6-difluoro-4-[2-(4-morpholin-4-ylbutoxy)phenoxy]-2-pyridinyl]morpholine

C23H28ClF2N3O4 — CID 4315355

IUPAC4-[5-chloro-3,6-difluoro-4-[2-(4-morpholin-4-ylbutoxy)phenoxy]-2-pyridinyl]morpholine
SMILESFc1nc(N2CCOCC2)c(F)c(Oc2ccccc2OCCCCN2CCOCC2)c1Cl
InChIInChI=1S/C23H28ClF2N3O4/c24-19-21(20(25)23(27-22(19)26)29-10-15-31-16-11-29)33-18-6-2-1-5-17(18)32-12-4-3-7-28-8-13-30-14-9-28/h1-2,5-6H,3-4,7-16H2
InChIKeyMFIMKEUAXHJYGT-UHFFFAOYSA-N
MW483.94 g/mol
LogP4.13
Rot. Bonds9

About 4-[5-chloro-3,6-difluoro-4-[2-(4-morpholin-4-ylbutoxy)phenoxy]-2-pyridinyl]morpholine

4-[5-chloro-3,6-difluoro-4-[2-(4-morpholin-4-ylbutoxy)phenoxy]-2-pyridinyl]morpholine (PubChem CID 4315355) has the molecular formula C23H28ClF2N3O4 and a molecular weight of 483.94 g/mol. Its IUPAC name is 4-[5-chloro-3,6-difluoro-4-[2-(4-morpholin-4-ylbutoxy)phenoxy]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-chloro-3,6-difluoro-4-[2-(4-morpholin-4-ylbutoxy)phenoxy]-2-pyridinyl]morpholine
PubChem CID4315355
Molecular FormulaC23H28ClF2N3O4
Molecular Weight483.94 g/mol
Exact Mass483.17
IUPAC Name4-[5-chloro-3,6-difluoro-4-[2-(4-morpholin-4-ylbutoxy)phenoxy]-2-pyridinyl]morpholine
SMILESFc1nc(N2CCOCC2)c(F)c(Oc2ccccc2OCCCCN2CCOCC2)c1Cl
InChIInChI=1S/C23H28ClF2N3O4/c24-19-21(20(25)23(27-22(19)26)29-10-15-31-16-11-29)33-18-6-2-1-5-17(18)32-12-4-3-7-28-8-13-30-14-9-28/h1-2,5-6H,3-4,7-16H2
InChIKeyMFIMKEUAXHJYGT-UHFFFAOYSA-N
XLogP4.13
TPSA56.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.94
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-3,6-difluoro-4-[2-(4-morpholin-4-ylbutoxy)phenoxy]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-chloro-3,6-difluoro-4-[2-(4-morpholin-4-ylbutoxy)phenoxy]-2-pyridinyl]morpholine (CID 4315355) is 4-[5-chloro-3,6-difluoro-4-[2-(4-morpholin-4-ylbutoxy)phenoxy]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-chloro-3,6-difluoro-4-[2-(4-morpholin-4-ylbutoxy)phenoxy]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-chloro-3,6-difluoro-4-[2-(4-morpholin-4-ylbutoxy)phenoxy]-2-pyridinyl]morpholine is Fc1nc(N2CCOCC2)c(F)c(Oc2ccccc2OCCCCN2CCOCC2)c1Cl.
What is the InChIKey of 4-[5-chloro-3,6-difluoro-4-[2-(4-morpholin-4-ylbutoxy)phenoxy]-2-pyridinyl]morpholine?
The InChIKey is MFIMKEUAXHJYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClF2N3O4/c24-19-21(20(25)23(27-22(19)26)29-10-15-31-16-11-29)33-18-6-2-1-5-17(18)32-12-4-3-7-28-8-13-30-14-9-28/h1-2,5-6H,3-4,7-16H2.
What are the key properties of 4-[5-chloro-3,6-difluoro-4-[2-(4-morpholin-4-ylbutoxy)phenoxy]-2-pyridinyl]morpholine?
4-[5-chloro-3,6-difluoro-4-[2-(4-morpholin-4-ylbutoxy)phenoxy]-2-pyridinyl]morpholine has a molecular weight of 483.94 g/mol, XLogP of 4.13, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-3,6-difluoro-4-[2-(4-morpholin-4-ylbutoxy)phenoxy]-2-pyridinyl]morpholine is sourced from PubChem (CID 4315355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).