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3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid

C16H22N4O4 — CID 120531870

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
SMILESCOCC(C)(NC(=O)c1cc(C)nc2c1cnn2C(C)C)C(=O)O
InChIInChI=1S/C16H22N4O4/c1-9(2)20-13-12(7-17-20)11(6-10(3)18-13)14(21)19-16(4,8-24-5)15(22)23/h6-7,9H,8H2,1-5H3,(H,19,21)(H,22,23)
InChIKeyQJXAJSBXZXOTNZ-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.54
Rot. Bonds6

About 3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid

3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid (PubChem CID 120531870) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
PubChem CID120531870
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
SMILESCOCC(C)(NC(=O)c1cc(C)nc2c1cnn2C(C)C)C(=O)O
InChIInChI=1S/C16H22N4O4/c1-9(2)20-13-12(7-17-20)11(6-10(3)18-13)14(21)19-16(4,8-24-5)15(22)23/h6-7,9H,8H2,1-5H3,(H,19,21)(H,22,23)
InChIKeyQJXAJSBXZXOTNZ-UHFFFAOYSA-N
XLogP1.54
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid (CID 120531870) is 3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid is COCC(C)(NC(=O)c1cc(C)nc2c1cnn2C(C)C)C(=O)O.
What is the InChIKey of 3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid?
The InChIKey is QJXAJSBXZXOTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-9(2)20-13-12(7-17-20)11(6-10(3)18-13)14(21)19-16(4,8-24-5)15(22)23/h6-7,9H,8H2,1-5H3,(H,19,21)(H,22,23).
What are the key properties of 3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid?
3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid has a molecular weight of 334.38 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120531870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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