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

C19H20N4O3 — CID 119366419

IUPAC(2S)-3-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
SMILESCc1nc2c(cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c(C)nn2C
InChIInChI=1S/C19H20N4O3/c1-11-15(10-14-12(2)22-23(3)17(14)20-11)18(24)21-16(19(25)26)9-13-7-5-4-6-8-13/h4-8,10,16H,9H2,1-3H3,(H,21,24)(H,25,26)/t16-/m0/s1
InChIKeyZPYLVGSSQXYASM-INIZCTEOSA-N
MW352.39 g/mol
LogP2.01
Rot. Bonds5

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

(2S)-3-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid (PubChem CID 119366419) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2S)-3-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
PubChem CID119366419
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name(2S)-3-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
SMILESCc1nc2c(cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c(C)nn2C
InChIInChI=1S/C19H20N4O3/c1-11-15(10-14-12(2)22-23(3)17(14)20-11)18(24)21-16(19(25)26)9-13-7-5-4-6-8-13/h4-8,10,16H,9H2,1-3H3,(H,21,24)(H,25,26)/t16-/m0/s1
InChIKeyZPYLVGSSQXYASM-INIZCTEOSA-N
XLogP2.01
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1,3,6-trimethyl-N-pentan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46597159
2-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 167936768
(2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119366410
N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 86904109
1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 37025261
2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 103116341
(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid
CID 801853
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 37028631
2-[[(1R)-1-carboxy-2-phenylethyl]carbamoyl]benzoic acid
CID 149148944
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 36978519
2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid
CID 16786218
2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 18072824

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-3-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid (CID 119366419) is (2S)-3-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid is Cc1nc2c(cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c(C)nn2C.
What is the InChIKey of (2S)-3-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid?
The InChIKey is ZPYLVGSSQXYASM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-11-15(10-14-12(2)22-23(3)17(14)20-11)18(24)21-16(19(25)26)9-13-7-5-4-6-8-13/h4-8,10,16H,9H2,1-3H3,(H,21,24)(H,25,26)/t16-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid?
(2S)-3-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 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119366419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).