3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid

C16H22N4O4 — CID 119351297

IUPAC3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)NCCC(=O)O)c(C)c12
InChIInChI=1S/C16H22N4O4/c1-9-11(5-6-12(21)17-8-7-13(22)23)10(2)18-15-14(9)16(24-4)19-20(15)3/h5-8H2,1-4H3,(H,17,21)(H,22,23)
InChIKeyJXSFNKSFRJHIFF-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.12
Rot. Bonds7

About 3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid

3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid (PubChem CID 119351297) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid
PubChem CID119351297
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)NCCC(=O)O)c(C)c12
InChIInChI=1S/C16H22N4O4/c1-9-11(5-6-12(21)17-8-7-13(22)23)10(2)18-15-14(9)16(24-4)19-20(15)3/h5-8H2,1-4H3,(H,17,21)(H,22,23)
InChIKeyJXSFNKSFRJHIFF-UHFFFAOYSA-N
XLogP1.12
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]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

N-(3-hydroxypropyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 78861649
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55723342
N-(2-amino-2-ethylbutyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 119641632
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(1R,2S)-2-methylcyclopropyl]methyl]propanamide
CID 39607211
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-phenylpropanamide
CID 38017763
N-(2-methoxy-2-phenylethyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 60543932
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(naphthalen-1-ylmethyl)propanamide
CID 78862004
N-cyclohexyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 38016467
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 55650434
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 119607128
N-[3-(aminomethyl)pentan-3-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide;dihydrochloride
CID 119570237
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55908067

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid?
The IUPAC name of 3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid (CID 119351297) is 3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid.
What is the SMILES notation for 3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid?
The canonical SMILES for 3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid is COc1nn(C)c2nc(C)c(CCC(=O)NCCC(=O)O)c(C)c12.
What is the InChIKey of 3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid?
The InChIKey is JXSFNKSFRJHIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-9-11(5-6-12(21)17-8-7-13(22)23)10(2)18-15-14(9)16(24-4)19-20(15)3/h5-8H2,1-4H3,(H,17,21)(H,22,23).
What are the key properties of 3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid?
3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid has a molecular weight of 334.38 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid is sourced from PubChem (CID 119351297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).