1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]ethanone

C23H22FN3O2 — CID 157194648

IUPAC1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]ethanone
SMILESCOc1ccc(C(=C(C)C)c2ccc(CC(=O)c3cncc(F)c3C)nc2)cn1
InChIInChI=1S/C23H22FN3O2/c1-14(2)23(17-6-8-22(29-4)27-11-17)16-5-7-18(26-10-16)9-21(28)19-12-25-13-20(24)15(19)3/h5-8,10-13H,9H2,1-4H3
InChIKeyVHRJULPUEZTDBJ-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.59
Rot. Bonds6

About 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]ethanone

1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]ethanone (PubChem CID 157194648) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]ethanone
PubChem CID157194648
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]ethanone
SMILESCOc1ccc(C(=C(C)C)c2ccc(CC(=O)c3cncc(F)c3C)nc2)cn1
InChIInChI=1S/C23H22FN3O2/c1-14(2)23(17-6-8-22(29-4)27-11-17)16-5-7-18(26-10-16)9-21(28)19-12-25-13-20(24)15(19)3/h5-8,10-13H,9H2,1-4H3
InChIKeyVHRJULPUEZTDBJ-UHFFFAOYSA-N
XLogP4.59
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]ethanone 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

6-(2-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 168276974
1-(7-Methoxy-2-trifluoromethylpyrazolo[1,5-a]pyridin-4-yl)-2-(pyridin-4-yl)ethanone
CID 24798271
5-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060382
5-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060384
Bcr-abl1-IN-1
CID 72201584
(4-Methoxyphenyl)-3-pyridinylmethanone
CID 32108
1-(4-Methoxyphenyl)-2-(pyridin-2-yl)ethanone
CID 238350
1-[1-(4-Methoxyphenyl)-1-oxopropan-2-yl]-2-(pyridin-2-yl)pyridinium
CID 4996516
(4-Methoxy-3,5-dimethylphenyl)[1-(2-pyridinylmethyl)-3-piperidinyl]methanone
CID 16188714
(3-Methoxyphenyl)[1-(2-pyridinylmethyl)-3-piperidinyl]methanone
CID 16190569
(2-Methoxyphenyl)[1-(3-pyridin-2-ylpropanoyl)piperidin-3-yl]methanone
CID 16191241
2-{[5-(2-Furyl)pyridin-3-yl]ethynyl}-6-methylpyridine
CID 44392451

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]ethanone?
The IUPAC name of 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]ethanone (CID 157194648) is 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]ethanone is COc1ccc(C(=C(C)C)c2ccc(CC(=O)c3cncc(F)c3C)nc2)cn1.
What is the InChIKey of 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]ethanone?
The InChIKey is VHRJULPUEZTDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-14(2)23(17-6-8-22(29-4)27-11-17)16-5-7-18(26-10-16)9-21(28)19-12-25-13-20(24)15(19)3/h5-8,10-13H,9H2,1-4H3.
What are the key properties of 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]ethanone?
1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]ethanone has a molecular weight of 391.45 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 157194648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).