3-(3-fluorophenyl)-3-[[2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetyl]amino]propanoic acid

C18H17FN4O3 — CID 167775505

IUPAC3-(3-fluorophenyl)-3-[[2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetyl]amino]propanoic acid
SMILESCc1cnc2c(cnn2CC(=O)NC(CC(=O)O)c2cccc(F)c2)c1
InChIInChI=1S/C18H17FN4O3/c1-11-5-13-9-21-23(18(13)20-8-11)10-16(24)22-15(7-17(25)26)12-3-2-4-14(19)6-12/h2-6,8-9,15H,7,10H2,1H3,(H,22,24)(H,25,26)
InChIKeyHPHQBBMOIXLEQA-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.21
Rot. Bonds6

About 3-(3-fluorophenyl)-3-[[2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetyl]amino]propanoic acid

3-(3-fluorophenyl)-3-[[2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetyl]amino]propanoic acid (PubChem CID 167775505) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-3-[[2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-3-[[2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetyl]amino]propanoic acid
PubChem CID167775505
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name3-(3-fluorophenyl)-3-[[2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetyl]amino]propanoic acid
SMILESCc1cnc2c(cnn2CC(=O)NC(CC(=O)O)c2cccc(F)c2)c1
InChIInChI=1S/C18H17FN4O3/c1-11-5-13-9-21-23(18(13)20-8-11)10-16(24)22-15(7-17(25)26)12-3-2-4-14(19)6-12/h2-6,8-9,15H,7,10H2,1H3,(H,22,24)(H,25,26)
InChIKeyHPHQBBMOIXLEQA-UHFFFAOYSA-N
XLogP2.21
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3-fluorophenyl)-3-[[2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetyl]amino]propanoic acid with MolForge

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Related Compounds

N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide
CID 136588214
3-(3-methylphenyl)-3-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propanoic acid
CID 166253825
methyl (E)-4-[[2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetyl]amino]but-2-enoate
CID 146099734
N-[1-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide
CID 154832763
3-(butanoylamino)-3-(3-methylphenyl)propanoic acid
CID 112508722
cis-(1S,3R)-3-[[(1R)-2-carboxy-1-(3-fluorophenyl)ethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 98762700
cis-(1R,3S)-3-[[(1R)-2-carboxy-1-(3-fluorophenyl)ethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 124774178
(2R)-2-(3-fluorophenyl)-2-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]acetic acid
CID 97286145
3-[(2-indol-1-ylacetyl)amino]-3-(3-methylphenyl)propanoic acid
CID 166319506
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547
3-amino-3-(3-fluorophenyl)propanoic acid
CID 580128
3-[[2-(3-methylphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461281

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-3-[[2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-(3-fluorophenyl)-3-[[2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetyl]amino]propanoic acid (CID 167775505) is 3-(3-fluorophenyl)-3-[[2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-3-[[2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-(3-fluorophenyl)-3-[[2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetyl]amino]propanoic acid is Cc1cnc2c(cnn2CC(=O)NC(CC(=O)O)c2cccc(F)c2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-3-[[2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is HPHQBBMOIXLEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-11-5-13-9-21-23(18(13)20-8-11)10-16(24)22-15(7-17(25)26)12-3-2-4-14(19)6-12/h2-6,8-9,15H,7,10H2,1H3,(H,22,24)(H,25,26).
What are the key properties of 3-(3-fluorophenyl)-3-[[2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetyl]amino]propanoic acid?
3-(3-fluorophenyl)-3-[[2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 356.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-3-[[2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 167775505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).