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

C22H20FN3O2 — CID 147750299

IUPAC1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]ethanone
SMILESC/C=C(\c1ccc(CC(=O)c2cncc(F)c2C)nc1)c1ccc(OC)nc1
InChIInChI=1S/C22H20FN3O2/c1-4-18(16-6-8-22(28-3)26-11-16)15-5-7-17(25-10-15)9-21(27)19-12-24-13-20(23)14(19)2/h4-8,10-13H,9H2,1-3H3/b18-4+
InChIKeyHCBKYZNXUXGRJV-JJPRUIFNSA-N
MW377.42 g/mol
LogP4.20
Rot. Bonds6

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

1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]ethanone (PubChem CID 147750299) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]ethanone
PubChem CID147750299
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]ethanone
SMILESC/C=C(\c1ccc(CC(=O)c2cncc(F)c2C)nc1)c1ccc(OC)nc1
InChIInChI=1S/C22H20FN3O2/c1-4-18(16-6-8-22(28-3)26-11-16)15-5-7-17(25-10-15)9-21(27)19-12-24-13-20(23)14(19)2/h4-8,10-13H,9H2,1-3H3/b18-4+
InChIKeyHCBKYZNXUXGRJV-JJPRUIFNSA-N
XLogP4.20
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]ethanone with MolForge

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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-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]ethanone?
The IUPAC name of 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]ethanone (CID 147750299) is 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]ethanone is C/C=C(\c1ccc(CC(=O)c2cncc(F)c2C)nc1)c1ccc(OC)nc1.
What is the InChIKey of 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]ethanone?
The InChIKey is HCBKYZNXUXGRJV-JJPRUIFNSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-4-18(16-6-8-22(28-3)26-11-16)15-5-7-17(25-10-15)9-21(27)19-12-24-13-20(23)14(19)2/h4-8,10-13H,9H2,1-3H3/b18-4+.
What are the key properties of 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]ethanone?
1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]ethanone has a molecular weight of 377.42 g/mol, XLogP of 4.20, 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-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 147750299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).