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

C15H20N4O3 — CID 120523353

IUPAC2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1cc(C)nc2c1cnn2C(C)C)C(=O)O
InChIInChI=1S/C15H20N4O3/c1-5-12(15(21)22)18-14(20)10-6-9(4)17-13-11(10)7-16-19(13)8(2)3/h6-8,12H,5H2,1-4H3,(H,18,20)(H,21,22)
InChIKeyBMBVGMCKGXGEIK-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.91
Rot. Bonds5

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

2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid (PubChem CID 120523353) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
PubChem CID120523353
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1cc(C)nc2c1cnn2C(C)C)C(=O)O
InChIInChI=1S/C15H20N4O3/c1-5-12(15(21)22)18-14(20)10-6-9(4)17-13-11(10)7-16-19(13)8(2)3/h6-8,12H,5H2,1-4H3,(H,18,20)(H,21,22)
InChIKeyBMBVGMCKGXGEIK-UHFFFAOYSA-N
XLogP1.91
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 120702787
3-cyclopropyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 120535917
(2R)-2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 119363231
6-methyl-N-[1-(4-methylphenyl)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42927620
6-methyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43044165
N-[2-(ethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119504676
1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 28842366
3-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 120522210
6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120828292
2-methyl-3-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 120524365
8-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]octanoic acid
CID 120535674
3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 120531870

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid (CID 120523353) is 2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid is CCC(NC(=O)c1cc(C)nc2c1cnn2C(C)C)C(=O)O.
What is the InChIKey of 2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid?
The InChIKey is BMBVGMCKGXGEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-5-12(15(21)22)18-14(20)10-6-9(4)17-13-11(10)7-16-19(13)8(2)3/h6-8,12H,5H2,1-4H3,(H,18,20)(H,21,22).
What are the key properties of 2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid?
2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid has a molecular weight of 304.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 120523353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).