3-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2-methylpropanoic acid

C18H19N3O3 — CID 58057620

IUPAC3-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2-methylpropanoic acid
SMILESCOc1ccc(Cn2nc(CC(C)C(=O)O)c3cccnc32)cc1
InChIInChI=1S/C18H19N3O3/c1-12(18(22)23)10-16-15-4-3-9-19-17(15)21(20-16)11-13-5-7-14(24-2)8-6-13/h3-9,12H,10-11H2,1-2H3,(H,22,23)
InChIKeyFYRDWPHDQXQOBI-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.75
Rot. Bonds6

About 3-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2-methylpropanoic acid

3-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2-methylpropanoic acid (PubChem CID 58057620) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2-methylpropanoic acid
PubChem CID58057620
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2-methylpropanoic acid
SMILESCOc1ccc(Cn2nc(CC(C)C(=O)O)c3cccnc32)cc1
InChIInChI=1S/C18H19N3O3/c1-12(18(22)23)10-16-15-4-3-9-19-17(15)21(20-16)11-13-5-7-14(24-2)8-6-13/h3-9,12H,10-11H2,1-2H3,(H,22,23)
InChIKeyFYRDWPHDQXQOBI-UHFFFAOYSA-N
XLogP2.75
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2-methylpropanoic acid 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-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2-methylpropanoic acid;methyl N-[2-(N-[3-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2-methylpropanoyl]-4-methylanilino)ethyl]carbamate;methyl 4-(4-methylanilino)butanoate;methyl N-[2-(4-methyl-N-[2-methyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoyl]anilino)ethyl]carbamate
CID 160573119
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one
CID 132515576
3-(6-methoxyisoquinolin-1-yl)-2-methylpropanoic acid
CID 116995409
bicyclo[2.2.0]hexa-1,3,5-triene;3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 175236429
[2-chloro-6-(trifluoromethyl)phenyl]-[1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]methanol
CID 118141958
3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879749
3-[(4-methoxyphenyl)methylsulfanyl]pyrazolo[5,4-b]pyridine-1-carboxylic acid
CID 175581070
2-(3-ethylpyrazolo[3,4-b]pyridin-1-yl)acetic acid
CID 143383912
1-[(4-methoxyphenyl)methyl]-3-propan-2-ylpyrazole-5-carboxylic acid
CID 82306829
[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamic acid
CID 90156932
1-benzyl-3-chloropyrazolo[5,4-b]pyridine
CID 12597363

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2-methylpropanoic acid (CID 58057620) is 3-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2-methylpropanoic acid is COc1ccc(Cn2nc(CC(C)C(=O)O)c3cccnc32)cc1.
What is the InChIKey of 3-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2-methylpropanoic acid?
The InChIKey is FYRDWPHDQXQOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12(18(22)23)10-16-15-4-3-9-19-17(15)21(20-16)11-13-5-7-14(24-2)8-6-13/h3-9,12H,10-11H2,1-2H3,(H,22,23).
What are the key properties of 3-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2-methylpropanoic acid?
3-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2-methylpropanoic acid has a molecular weight of 325.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 58057620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).