methyl 2-[2-(3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetate

C22H21N3O4 — CID 171911246

IUPACmethyl 2-[2-(3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetate
SMILESCOC(=O)COc1ccccc1C1CC(=O)Nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C22H21N3O4/c1-14-21-17(16-10-6-7-11-18(16)29-13-20(27)28-2)12-19(26)23-22(21)25(24-14)15-8-4-3-5-9-15/h3-11,17H,12-13H2,1-2H3,(H,23,26)
InChIKeyWMJSMDFGHWPTMU-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.21
Rot. Bonds5

About methyl 2-[2-(3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetate

methyl 2-[2-(3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetate (PubChem CID 171911246) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is methyl 2-[2-(3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetate
PubChem CID171911246
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Namemethyl 2-[2-(3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetate
SMILESCOC(=O)COc1ccccc1C1CC(=O)Nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C22H21N3O4/c1-14-21-17(16-10-6-7-11-18(16)29-13-20(27)28-2)12-19(26)23-22(21)25(24-14)15-8-4-3-5-9-15/h3-11,17H,12-13H2,1-2H3,(H,23,26)
InChIKeyWMJSMDFGHWPTMU-UHFFFAOYSA-N
XLogP3.21
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-(3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetate 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

(4S)-3-methyl-4-(2-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737482
4-(2-fluorophenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 137207598
1-(4,6-dimethylpyrimidin-2-yl)-4-(2-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135584716
(4R)-1-(1,3-benzothiazol-2-yl)-3-methyl-4-[2-(2-phenylethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136888127
(4S)-3-methyl-4-[2-(2-methylpropoxy)phenyl]-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878797
3-methyl-4-(1-methylpyrazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169416863
1-(6-chloropyridazin-3-yl)-4-(2-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655040
ethyl 2-[(4S)-4-(2-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 136800404
(4S)-1-(6-methoxypyridazin-3-yl)-3-methyl-4-(2-prop-2-enoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135953718
(4S)-1-(6-chloropyridazin-3-yl)-3-methyl-4-[2-(2-methylpropoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135953717
3-methyl-4-[4-(methylamino)phenyl]-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 175774192
3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 155424536

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetate?
The IUPAC name of methyl 2-[2-(3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetate (CID 171911246) is methyl 2-[2-(3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-(3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetate?
The canonical SMILES for methyl 2-[2-(3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetate is COC(=O)COc1ccccc1C1CC(=O)Nc2c1c(C)nn2-c1ccccc1.
What is the InChIKey of methyl 2-[2-(3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetate?
The InChIKey is WMJSMDFGHWPTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-14-21-17(16-10-6-7-11-18(16)29-13-20(27)28-2)12-19(26)23-22(21)25(24-14)15-8-4-3-5-9-15/h3-11,17H,12-13H2,1-2H3,(H,23,26).
What are the key properties of methyl 2-[2-(3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetate?
methyl 2-[2-(3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetate has a molecular weight of 391.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetate is sourced from PubChem (CID 171911246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).