2-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid

C19H20N4O3 — CID 167936768

IUPAC2-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
SMILESCc1nc2c(cc1C(=O)NC(C)(C(=O)O)c1ccccc1)c(C)nn2C
InChIInChI=1S/C19H20N4O3/c1-11-15(10-14-12(2)22-23(4)16(14)20-11)17(24)21-19(3,18(25)26)13-8-6-5-7-9-13/h5-10H,1-4H3,(H,21,24)(H,25,26)
InChIKeyAIRIHGRBVFCHCS-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.31
Rot. Bonds4

About 2-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid

2-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid (PubChem CID 167936768) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
PubChem CID167936768
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
SMILESCc1nc2c(cc1C(=O)NC(C)(C(=O)O)c1ccccc1)c(C)nn2C
InChIInChI=1S/C19H20N4O3/c1-11-15(10-14-12(2)22-23(4)16(14)20-11)17(24)21-19(3,18(25)26)13-8-6-5-7-9-13/h5-10H,1-4H3,(H,21,24)(H,25,26)
InChIKeyAIRIHGRBVFCHCS-UHFFFAOYSA-N
XLogP2.31
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic 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

1,3,6-trimethyl-N-pyridin-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 36998675
N-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46446216
(2S)-3-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 119366419
1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 37025261
N-(1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 37019957
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 36978519
6-amino-1,3-dimethyl-N-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 39096980
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-phenylpropanoic acid
CID 63758692
1,3,6-trimethyl-N-pentan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46597159
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 42959831
N-hexyl-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 37031751
N-(3,4-dihydro-1H-isothiochromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 167877695

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid (CID 167936768) is 2-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid is Cc1nc2c(cc1C(=O)NC(C)(C(=O)O)c1ccccc1)c(C)nn2C.
What is the InChIKey of 2-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid?
The InChIKey is AIRIHGRBVFCHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-11-15(10-14-12(2)22-23(4)16(14)20-11)17(24)21-19(3,18(25)26)13-8-6-5-7-9-13/h5-10H,1-4H3,(H,21,24)(H,25,26).
What are the key properties of 2-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid?
2-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid has a molecular weight of 352.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 167936768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).