4-[4-[(5-chloro-2,3-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]but-3-en-2-one

C19H17ClF2N2O3 — CID 4563381

IUPAC4-[4-[(5-chloro-2,3-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]but-3-en-2-one
SMILESCC(=O)C=Cc1ccc(Oc2c(F)c(F)nc(N3CCOCC3)c2Cl)cc1
InChIInChI=1S/C19H17ClF2N2O3/c1-12(25)2-3-13-4-6-14(7-5-13)27-17-15(20)19(23-18(22)16(17)21)24-8-10-26-11-9-24/h2-7H,8-11H2,1H3
InChIKeyVYLJXWJINHBRKD-UHFFFAOYSA-N
MW394.81 g/mol
LogP4.24
Rot. Bonds5

About 4-[4-[(5-chloro-2,3-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]but-3-en-2-one

4-[4-[(5-chloro-2,3-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]but-3-en-2-one (PubChem CID 4563381) has the molecular formula C19H17ClF2N2O3 and a molecular weight of 394.81 g/mol. Its IUPAC name is 4-[4-[(5-chloro-2,3-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]but-3-en-2-one.

Molecular Properties

Compound Name4-[4-[(5-chloro-2,3-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]but-3-en-2-one
PubChem CID4563381
Molecular FormulaC19H17ClF2N2O3
Molecular Weight394.81 g/mol
Exact Mass394.09
IUPAC Name4-[4-[(5-chloro-2,3-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]but-3-en-2-one
SMILESCC(=O)C=Cc1ccc(Oc2c(F)c(F)nc(N3CCOCC3)c2Cl)cc1
InChIInChI=1S/C19H17ClF2N2O3/c1-12(25)2-3-13-4-6-14(7-5-13)27-17-15(20)19(23-18(22)16(17)21)24-8-10-26-11-9-24/h2-7H,8-11H2,1H3
InChIKeyVYLJXWJINHBRKD-UHFFFAOYSA-N
XLogP4.24
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.81
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[4-[(5-chloro-2,3-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]but-3-en-2-one with MolForge

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Related Compounds

4-[3,5,6-Trifluoro-4-(4-methylphenoxy)-2-pyridinyl]morpholine
CID 3649932
4-[4-(4-Chlorophenoxy)-3,5,6-trifluoro-2-pyridinyl]morpholine
CID 4524989
6-{[3-Chloro-2,5-difluoro-6-(morpholin-4-YL)pyridin-4-YL]oxy}-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-one
CID 6620849
4-[5-Chloro-3,6-difluoro-4-(4-methoxyphenoxy)pyridin-2-yl]morpholine
CID 1353718
4-(5-Chloro-3,6-difluoro-4-{2-[4-(morpholin-4-yl)butoxy]phenoxy}pyridin-2-yl)morpholine
CID 4315355
Methyl 3-{[3,5-dichloro-2-fluoro-6-(morpholin-4-yl)pyridin-4-yl]oxy}benzoate
CID 17599045
Methyl 4-{[3,5-dichloro-2-fluoro-6-(morpholin-4-yl)pyridin-4-yl]oxy}benzoate
CID 17601786
1-{4-[(2,3,5-Trifluoro-6-piperidin-1-ylpyridin-4-yl)oxy]phenyl}ethanone
CID 53206474
6-chloro-3-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 166080536
4-[4-(4-Tert-butyl-2-chloro-3-fluorophenoxy)-2-pyridinyl]-2,6-dimethylmorpholine
CID 170931594
[1-[3-Chloro-4-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]piperidin-4-yl] carbamate
CID 175203424
4-[5-Chloro-4-(4-chloro-2,6-dimethylphenoxy)-3,6-difluoropyridin-2-yl]morpholine
CID 1353153

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-chloro-2,3-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]but-3-en-2-one?
The IUPAC name of 4-[4-[(5-chloro-2,3-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]but-3-en-2-one (CID 4563381) is 4-[4-[(5-chloro-2,3-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]but-3-en-2-one.
What is the SMILES notation for 4-[4-[(5-chloro-2,3-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]but-3-en-2-one?
The canonical SMILES for 4-[4-[(5-chloro-2,3-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]but-3-en-2-one is CC(=O)C=Cc1ccc(Oc2c(F)c(F)nc(N3CCOCC3)c2Cl)cc1.
What is the InChIKey of 4-[4-[(5-chloro-2,3-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]but-3-en-2-one?
The InChIKey is VYLJXWJINHBRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N2O3/c1-12(25)2-3-13-4-6-14(7-5-13)27-17-15(20)19(23-18(22)16(17)21)24-8-10-26-11-9-24/h2-7H,8-11H2,1H3.
What are the key properties of 4-[4-[(5-chloro-2,3-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]but-3-en-2-one?
4-[4-[(5-chloro-2,3-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]but-3-en-2-one has a molecular weight of 394.81 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-chloro-2,3-difluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]but-3-en-2-one is sourced from PubChem (CID 4563381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).