1-[3-[3-(2-fluoro-6-hydroxyphenyl)-1,6-naphthyridin-7-yl]pyrrolidin-1-yl]prop-2-en-1-one

C21H18FN3O2 — CID 155319217

IUPAC1-[3-[3-(2-fluoro-6-hydroxyphenyl)-1,6-naphthyridin-7-yl]pyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(c2cc3ncc(-c4c(O)cccc4F)cc3cn2)C1
InChIInChI=1S/C21H18FN3O2/c1-2-20(27)25-7-6-13(12-25)17-9-18-14(10-23-17)8-15(11-24-18)21-16(22)4-3-5-19(21)26/h2-5,8-11,13,26H,1,6-7,12H2
InChIKeyGUYVYTUDIFNICV-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.64
Rot. Bonds3

About 1-[3-[3-(2-fluoro-6-hydroxyphenyl)-1,6-naphthyridin-7-yl]pyrrolidin-1-yl]prop-2-en-1-one

1-[3-[3-(2-fluoro-6-hydroxyphenyl)-1,6-naphthyridin-7-yl]pyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 155319217) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 1-[3-[3-(2-fluoro-6-hydroxyphenyl)-1,6-naphthyridin-7-yl]pyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[3-[3-(2-fluoro-6-hydroxyphenyl)-1,6-naphthyridin-7-yl]pyrrolidin-1-yl]prop-2-en-1-one
PubChem CID155319217
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name1-[3-[3-(2-fluoro-6-hydroxyphenyl)-1,6-naphthyridin-7-yl]pyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(c2cc3ncc(-c4c(O)cccc4F)cc3cn2)C1
InChIInChI=1S/C21H18FN3O2/c1-2-20(27)25-7-6-13(12-25)17-9-18-14(10-23-17)8-15(11-24-18)21-16(22)4-3-5-19(21)26/h2-5,8-11,13,26H,1,6-7,12H2
InChIKeyGUYVYTUDIFNICV-UHFFFAOYSA-N
XLogP3.64
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-[3-(2-fluoro-6-hydroxyphenyl)-1,6-naphthyridin-7-yl]pyrrolidin-1-yl]prop-2-en-1-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

1-[3-[6-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 135280472
1-[3-[6-chloro-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 135280348
1-[4-[5-(2-fluoro-6-methoxyphenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 155667197
1-[3-[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-3-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 168965621
1-[3-[3-chloro-5-fluoro-4-(2-fluoro-6-hydroxyphenyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]prop-2-en-1-one
CID 156514382
1-[3-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 155667182
1-[3-[7-chloro-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 175740466
ethane;1-[3-[(5-fluoro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one
CID 145095603
1-[7-[6-(2-fluoro-6-hydroxyphenyl)pyrimidin-4-yl]-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one
CID 146330529
3-(3-fluoro-2-methylphenyl)-1-methyl-1-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]urea
CID 172889531
1-(4,6-dimethylpyrimidin-5-yl)-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[4,3-d]pyrimidin-2-one
CID 164579039
1-[3-[3-[4-[(3-fluoro-2-pyridinyl)oxy]phenyl]-5-(methylamino)imidazo[1,5-c]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 167082927

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(2-fluoro-6-hydroxyphenyl)-1,6-naphthyridin-7-yl]pyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[3-[3-(2-fluoro-6-hydroxyphenyl)-1,6-naphthyridin-7-yl]pyrrolidin-1-yl]prop-2-en-1-one (CID 155319217) is 1-[3-[3-(2-fluoro-6-hydroxyphenyl)-1,6-naphthyridin-7-yl]pyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[3-[3-(2-fluoro-6-hydroxyphenyl)-1,6-naphthyridin-7-yl]pyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[3-[3-(2-fluoro-6-hydroxyphenyl)-1,6-naphthyridin-7-yl]pyrrolidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(c2cc3ncc(-c4c(O)cccc4F)cc3cn2)C1.
What is the InChIKey of 1-[3-[3-(2-fluoro-6-hydroxyphenyl)-1,6-naphthyridin-7-yl]pyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is GUYVYTUDIFNICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-2-20(27)25-7-6-13(12-25)17-9-18-14(10-23-17)8-15(11-24-18)21-16(22)4-3-5-19(21)26/h2-5,8-11,13,26H,1,6-7,12H2.
What are the key properties of 1-[3-[3-(2-fluoro-6-hydroxyphenyl)-1,6-naphthyridin-7-yl]pyrrolidin-1-yl]prop-2-en-1-one?
1-[3-[3-(2-fluoro-6-hydroxyphenyl)-1,6-naphthyridin-7-yl]pyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 363.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(2-fluoro-6-hydroxyphenyl)-1,6-naphthyridin-7-yl]pyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 155319217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).