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

C14H18N4O3 — CID 119223760

IUPAC2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1cc(C)nc2c1c(C)nn2C)C(=O)O
InChIInChI=1S/C14H18N4O3/c1-5-10(14(20)21)16-13(19)9-6-7(2)15-12-11(9)8(3)17-18(12)4/h6,10H,5H2,1-4H3,(H,16,19)(H,20,21)
InChIKeyTYFRKHYZRCIQTO-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.18
Rot. Bonds4

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

2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid (PubChem CID 119223760) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
PubChem CID119223760
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1cc(C)nc2c1c(C)nn2C)C(=O)O
InChIInChI=1S/C14H18N4O3/c1-5-10(14(20)21)16-13(19)9-6-7(2)15-12-11(9)8(3)17-18(12)4/h6,10H,5H2,1-4H3,(H,16,19)(H,20,21)
InChIKeyTYFRKHYZRCIQTO-UHFFFAOYSA-N
XLogP1.18
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 86904109
N-(1,1-diphenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55588598
N-(2-hydroxyethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 110883675
N-[1-(4-fluorophenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621030
N-(3-hydroxypropyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 110886199
1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32753002
1,3,6-trimethyl-N-(1-methylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16622173
2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 120523353
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 91954067
1,3,6-trimethyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 26249415
1,3,6-trimethyl-N-(4-propylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 24627619
methyl 2-methyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoate
CID 47089692

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid (CID 119223760) is 2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid is CCC(NC(=O)c1cc(C)nc2c1c(C)nn2C)C(=O)O.
What is the InChIKey of 2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid?
The InChIKey is TYFRKHYZRCIQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-5-10(14(20)21)16-13(19)9-6-7(2)15-12-11(9)8(3)17-18(12)4/h6,10H,5H2,1-4H3,(H,16,19)(H,20,21).
What are the key properties of 2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid?
2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119223760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).