4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one

C30H35FN2O3 — CID 58190189

IUPAC4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one
SMILESCC(C)COc1cc(F)cc(CCC(=O)Cc2ccc(-c3ccc(CN4CCOCC4)cc3)cn2)c1
InChIInChI=1S/C30H35FN2O3/c1-22(2)21-36-30-16-24(15-27(31)17-30)5-10-29(34)18-28-9-8-26(19-32-28)25-6-3-23(4-7-25)20-33-11-13-35-14-12-33/h3-4,6-9,15-17,19,22H,5,10-14,18,20-21H2,1-2H3
InChIKeyJUBJUJIDRJMXMP-UHFFFAOYSA-N
MW490.62 g/mol
LogP5.50
Rot. Bonds11

About 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one

4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one (PubChem CID 58190189) has the molecular formula C30H35FN2O3 and a molecular weight of 490.62 g/mol. Its IUPAC name is 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one.

Molecular Properties

Compound Name4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one
PubChem CID58190189
Molecular FormulaC30H35FN2O3
Molecular Weight490.62 g/mol
Exact Mass490.26
IUPAC Name4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one
SMILESCC(C)COc1cc(F)cc(CCC(=O)Cc2ccc(-c3ccc(CN4CCOCC4)cc3)cn2)c1
InChIInChI=1S/C30H35FN2O3/c1-22(2)21-36-30-16-24(15-27(31)17-30)5-10-29(34)18-28-9-8-26(19-32-28)25-6-3-23(4-7-25)20-33-11-13-35-14-12-33/h3-4,6-9,15-17,19,22H,5,10-14,18,20-21H2,1-2H3
InChIKeyJUBJUJIDRJMXMP-UHFFFAOYSA-N
XLogP5.50
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.62
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tirbanibulin
CID 23635314
2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide
CID 155925939
4-fluoro-3-[2-(4-methylphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396292
sodium (2S,3R)-3-cyclopropyl-3-[2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoate
CID 145955958
sodium (2S,3R)-3-cyclopropyl-3-[2-[2-fluoro-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoate
CID 145956406
sodium (2S,3R)-3-cyclopropyl-3-[2-[4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoate
CID 145956795
AP5 sodium
CID 145961418
N-benzyl-2-[5-[4-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166635072
N-benzyl-2-[5-[4-[2-[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166635524
N-[(3-fluorophenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 11496101
ethyl 1-(methylnitroso)-3-phenyl-6-(pyridin-2-ylmethoxy)-1H-indene-2-carboxylate
CID 11690159
1-[4-[3-[4-[(4-Fluorophenyl)-pyridin-2-ylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 15093865

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one?
The IUPAC name of 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one (CID 58190189) is 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one.
What is the SMILES notation for 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one?
The canonical SMILES for 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one is CC(C)COc1cc(F)cc(CCC(=O)Cc2ccc(-c3ccc(CN4CCOCC4)cc3)cn2)c1.
What is the InChIKey of 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one?
The InChIKey is JUBJUJIDRJMXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN2O3/c1-22(2)21-36-30-16-24(15-27(31)17-30)5-10-29(34)18-28-9-8-26(19-32-28)25-6-3-23(4-7-25)20-33-11-13-35-14-12-33/h3-4,6-9,15-17,19,22H,5,10-14,18,20-21H2,1-2H3.
What are the key properties of 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one?
4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one has a molecular weight of 490.62 g/mol, XLogP of 5.50, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one is sourced from PubChem (CID 58190189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).