6-[(3-chloro-2,5-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]-4-phenyl-3,4-dihydro-2H-naphthalen-1-one

C25H21ClF2N2O3 — CID 6620849

IUPAC6-[(3-chloro-2,5-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]-4-phenyl-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCC(c2ccccc2)c2cc(Oc3c(F)c(N4CCOCC4)nc(F)c3Cl)ccc21
InChIInChI=1S/C25H21ClF2N2O3/c26-21-23(22(27)25(29-24(21)28)30-10-12-32-13-11-30)33-16-6-7-18-19(14-16)17(8-9-20(18)31)15-4-2-1-3-5-15/h1-7,14,17H,8-13H2
InChIKeyOTJIEDAOKBPABO-UHFFFAOYSA-N
MW470.90 g/mol
LogP5.75
Rot. Bonds4

About 6-[(3-chloro-2,5-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]-4-phenyl-3,4-dihydro-2H-naphthalen-1-one

6-[(3-chloro-2,5-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]-4-phenyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 6620849) has the molecular formula C25H21ClF2N2O3 and a molecular weight of 470.90 g/mol. Its IUPAC name is 6-[(3-chloro-2,5-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]-4-phenyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[(3-chloro-2,5-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]-4-phenyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID6620849
Molecular FormulaC25H21ClF2N2O3
Molecular Weight470.90 g/mol
Exact Mass470.12
IUPAC Name6-[(3-chloro-2,5-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]-4-phenyl-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCC(c2ccccc2)c2cc(Oc3c(F)c(N4CCOCC4)nc(F)c3Cl)ccc21
InChIInChI=1S/C25H21ClF2N2O3/c26-21-23(22(27)25(29-24(21)28)30-10-12-32-13-11-30)33-16-6-7-18-19(14-16)17(8-9-20(18)31)15-4-2-1-3-5-15/h1-7,14,17H,8-13H2
InChIKeyOTJIEDAOKBPABO-UHFFFAOYSA-N
XLogP5.75
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.90
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-2,5-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]-4-phenyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[(3-chloro-2,5-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]-4-phenyl-3,4-dihydro-2H-naphthalen-1-one (CID 6620849) is 6-[(3-chloro-2,5-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]-4-phenyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[(3-chloro-2,5-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]-4-phenyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[(3-chloro-2,5-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]-4-phenyl-3,4-dihydro-2H-naphthalen-1-one is O=C1CCC(c2ccccc2)c2cc(Oc3c(F)c(N4CCOCC4)nc(F)c3Cl)ccc21.
What is the InChIKey of 6-[(3-chloro-2,5-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]-4-phenyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is OTJIEDAOKBPABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N2O3/c26-21-23(22(27)25(29-24(21)28)30-10-12-32-13-11-30)33-16-6-7-18-19(14-16)17(8-9-20(18)31)15-4-2-1-3-5-15/h1-7,14,17H,8-13H2.
What are the key properties of 6-[(3-chloro-2,5-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]-4-phenyl-3,4-dihydro-2H-naphthalen-1-one?
6-[(3-chloro-2,5-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]-4-phenyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 470.90 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-2,5-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]-4-phenyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 6620849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).