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

C29H33FN2O3 — CID 58190238

IUPAC4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one
SMILESCC(C)COc1cc(F)cc(CCC(=O)Cc2ccc(-c3ccc(N4CCOCC4)cc3)cn2)c1
InChIInChI=1S/C29H33FN2O3/c1-21(2)20-35-29-16-22(15-25(30)17-29)3-10-28(33)18-26-7-4-24(19-31-26)23-5-8-27(9-6-23)32-11-13-34-14-12-32/h4-9,15-17,19,21H,3,10-14,18,20H2,1-2H3
InChIKeyOKVCQTJRIWHBEB-UHFFFAOYSA-N
MW476.59 g/mol
LogP5.50
Rot. Bonds10

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

4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one (PubChem CID 58190238) has the molecular formula C29H33FN2O3 and a molecular weight of 476.59 g/mol. Its IUPAC name is 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one.

Molecular Properties

Compound Name4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one
PubChem CID58190238
Molecular FormulaC29H33FN2O3
Molecular Weight476.59 g/mol
Exact Mass476.25
IUPAC Name4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one
SMILESCC(C)COc1cc(F)cc(CCC(=O)Cc2ccc(-c3ccc(N4CCOCC4)cc3)cn2)c1
InChIInChI=1S/C29H33FN2O3/c1-21(2)20-35-29-16-22(15-25(30)17-29)3-10-28(33)18-26-7-4-24(19-31-26)23-5-8-27(9-6-23)32-11-13-34-14-12-32/h4-9,15-17,19,21H,3,10-14,18,20H2,1-2H3
InChIKeyOKVCQTJRIWHBEB-UHFFFAOYSA-N
XLogP5.50
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.59
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-morpholin-4-ylphenyl)-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
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
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
1-[4-[3-[4-[(4-Fluorophenyl)-pyridin-2-ylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 15093865
N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide
CID 58310712
Diethyl-(2-{4-[5-(4-methoxy-phenyl)-pyridin-2-ylethynyl]-phenoxy}-ethyl)-amine
CID 59835766
(2S,3R)-3-cyclopropyl-3-[2-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 118637996
(2R,3R)-3-cyclopropyl-3-[2-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 118638001
(3S)-3-cyclopropyl-3-[2-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid
CID 118642384

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one?
The IUPAC name of 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one (CID 58190238) is 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one.
What is the SMILES notation for 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one?
The canonical SMILES for 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one is CC(C)COc1cc(F)cc(CCC(=O)Cc2ccc(-c3ccc(N4CCOCC4)cc3)cn2)c1.
What is the InChIKey of 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one?
The InChIKey is OKVCQTJRIWHBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN2O3/c1-21(2)20-35-29-16-22(15-25(30)17-29)3-10-28(33)18-26-7-4-24(19-31-26)23-5-8-27(9-6-23)32-11-13-34-14-12-32/h4-9,15-17,19,21H,3,10-14,18,20H2,1-2H3.
What are the key properties of 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one?
4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one has a molecular weight of 476.59 g/mol, XLogP of 5.50, 10 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-ylphenyl)-2-pyridinyl]butan-2-one is sourced from PubChem (CID 58190238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).