3-[(3-fluorophenyl)-[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]-4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one

C23H25FN2O6 — CID 54703565

IUPAC3-[(3-fluorophenyl)-[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]-4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one
SMILESCc1cc(O)c(C(c2cccc(F)c2)c2c(O)cc(C)n(CCO)c2=O)c(=O)n1CCO
InChIInChI=1S/C23H25FN2O6/c1-13-10-17(29)20(22(31)25(13)6-8-27)19(15-4-3-5-16(24)12-15)21-18(30)11-14(2)26(7-9-28)23(21)32/h3-5,10-12,19,27-30H,6-9H2,1-2H3
InChIKeyKSMSLORYDYWKLO-UHFFFAOYSA-N
MW444.46 g/mol
LogP1.34
Rot. Bonds7

About 3-[(3-fluorophenyl)-[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]-4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one

3-[(3-fluorophenyl)-[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]-4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one (PubChem CID 54703565) has the molecular formula C23H25FN2O6 and a molecular weight of 444.46 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)-[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]-4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(3-fluorophenyl)-[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]-4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one
PubChem CID54703565
Molecular FormulaC23H25FN2O6
Molecular Weight444.46 g/mol
Exact Mass444.17
IUPAC Name3-[(3-fluorophenyl)-[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]-4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one
SMILESCc1cc(O)c(C(c2cccc(F)c2)c2c(O)cc(C)n(CCO)c2=O)c(=O)n1CCO
InChIInChI=1S/C23H25FN2O6/c1-13-10-17(29)20(22(31)25(13)6-8-27)19(15-4-3-5-16(24)12-15)21-18(30)11-14(2)26(7-9-28)23(21)32/h3-5,10-12,19,27-30H,6-9H2,1-2H3
InChIKeyKSMSLORYDYWKLO-UHFFFAOYSA-N
XLogP1.34
TPSA124.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-[(3-fluorophenyl)-[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]-4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-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

3-[(3-fluorophenyl)-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one
CID 54703511
4-hydroxy-1-(2-hydroxyethyl)-3-[[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(2-hydroxy-3-methoxyphenyl)methyl]-6-methylpyridin-2-one
CID 54677228
1-ethyl-3-[(4-ethylpiperazin-1-yl)-(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729071
3-[(R)-(3-fluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54739569
1-ethyl-3-[(S)-(3-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54739400
3-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
CID 92526442
1-ethyl-3-[(R)-(3-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 92762526
4-[(3-fluorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 3164617
4-hydroxy-1-(2-hydroxyethyl)-3-[1-[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]cyclopentyl]-6-methylpyridin-2-one
CID 54677224
1-benzyl-3-[(3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54728993
3-[(S)-[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxyphenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54739508
3-[(R)-(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54739575

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)-[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]-4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one?
The IUPAC name of 3-[(3-fluorophenyl)-[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]-4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one (CID 54703565) is 3-[(3-fluorophenyl)-[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]-4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one.
What is the SMILES notation for 3-[(3-fluorophenyl)-[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]-4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one?
The canonical SMILES for 3-[(3-fluorophenyl)-[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]-4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one is Cc1cc(O)c(C(c2cccc(F)c2)c2c(O)cc(C)n(CCO)c2=O)c(=O)n1CCO.
What is the InChIKey of 3-[(3-fluorophenyl)-[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]-4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one?
The InChIKey is KSMSLORYDYWKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O6/c1-13-10-17(29)20(22(31)25(13)6-8-27)19(15-4-3-5-16(24)12-15)21-18(30)11-14(2)26(7-9-28)23(21)32/h3-5,10-12,19,27-30H,6-9H2,1-2H3.
What are the key properties of 3-[(3-fluorophenyl)-[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]-4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one?
3-[(3-fluorophenyl)-[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]-4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one has a molecular weight of 444.46 g/mol, XLogP of 1.34, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)-[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]-4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one is sourced from PubChem (CID 54703565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).