6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-4H-pyrazol-3-yl)-4-hydroxy-1H-pyridin-2-one

C22H27N3O4 — CID 145200862

IUPAC6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-4H-pyrazol-3-yl)-4-hydroxy-1H-pyridin-2-one
SMILESCCCCc1[nH]c(=O)c(C2=NN=C(CC)C2)c(O)c1-c1c(OC)cccc1OC
InChIInChI=1S/C22H27N3O4/c1-5-7-9-14-18(20-16(28-3)10-8-11-17(20)29-4)21(26)19(22(27)23-14)15-12-13(6-2)24-25-15/h8,10-11H,5-7,9,12H2,1-4H3,(H2,23,26,27)
InChIKeyYNZNFFQMINHLHI-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.07
Rot. Bonds8

About 6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-4H-pyrazol-3-yl)-4-hydroxy-1H-pyridin-2-one

6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-4H-pyrazol-3-yl)-4-hydroxy-1H-pyridin-2-one (PubChem CID 145200862) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-4H-pyrazol-3-yl)-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-4H-pyrazol-3-yl)-4-hydroxy-1H-pyridin-2-one
PubChem CID145200862
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-4H-pyrazol-3-yl)-4-hydroxy-1H-pyridin-2-one
SMILESCCCCc1[nH]c(=O)c(C2=NN=C(CC)C2)c(O)c1-c1c(OC)cccc1OC
InChIInChI=1S/C22H27N3O4/c1-5-7-9-14-18(20-16(28-3)10-8-11-17(20)29-4)21(26)19(22(27)23-14)15-12-13(6-2)24-25-15/h8,10-11H,5-7,9,12H2,1-4H3,(H2,23,26,27)
InChIKeyYNZNFFQMINHLHI-UHFFFAOYSA-N
XLogP4.07
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-4H-pyrazol-3-yl)-4-hydroxy-1H-pyridin-2-one;1-(3-chlorophenyl)ethanone;ethane
CID 145200910
N-butyl-2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]acetamide
CID 145200759
N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]methyl]benzamide
CID 145200726
3-(benzenesulfonyl)-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 146222359
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde
CID 146342580
6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-hydroxy-1H-pyridin-2-one;1-methylpyrrolidine-2,4-dione
CID 145200678
3-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-oxazolidin-2-one
CID 137106288
propyl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate
CID 145200805
6-butyl-3-[5-[2-(4-chlorophenyl)-2-methylpropyl]-1,3,4-oxadiazol-2-yl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 137106225
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 137304670
6-butyl-3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 137106167
6-butyl-5-(2,6-dimethoxyphenyl)-3-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-4-hydroxy-1H-pyridin-2-one
CID 137106140

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-4H-pyrazol-3-yl)-4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-4H-pyrazol-3-yl)-4-hydroxy-1H-pyridin-2-one (CID 145200862) is 6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-4H-pyrazol-3-yl)-4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-4H-pyrazol-3-yl)-4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-4H-pyrazol-3-yl)-4-hydroxy-1H-pyridin-2-one is CCCCc1[nH]c(=O)c(C2=NN=C(CC)C2)c(O)c1-c1c(OC)cccc1OC.
What is the InChIKey of 6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-4H-pyrazol-3-yl)-4-hydroxy-1H-pyridin-2-one?
The InChIKey is YNZNFFQMINHLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-5-7-9-14-18(20-16(28-3)10-8-11-17(20)29-4)21(26)19(22(27)23-14)15-12-13(6-2)24-25-15/h8,10-11H,5-7,9,12H2,1-4H3,(H2,23,26,27).
What are the key properties of 6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-4H-pyrazol-3-yl)-4-hydroxy-1H-pyridin-2-one?
6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-4H-pyrazol-3-yl)-4-hydroxy-1H-pyridin-2-one has a molecular weight of 397.48 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-4H-pyrazol-3-yl)-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 145200862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).