2-methyl-2-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid

C12H12N6O2 — CID 103123559

IUPAC2-methyl-2-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1-c1cnn2ccccc12
InChIInChI=1S/C12H12N6O2/c1-12(2,11(19)20)18-10(14-15-16-18)8-7-13-17-6-4-3-5-9(8)17/h3-7H,1-2H3,(H,19,20)
InChIKeyWYFXQYDKWBSGPZ-UHFFFAOYSA-N
MW272.27 g/mol
LogP0.81
Rot. Bonds3

About 2-methyl-2-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid

2-methyl-2-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid (PubChem CID 103123559) has the molecular formula C12H12N6O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is 2-methyl-2-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid
PubChem CID103123559
Molecular FormulaC12H12N6O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name2-methyl-2-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1-c1cnn2ccccc12
InChIInChI=1S/C12H12N6O2/c1-12(2,11(19)20)18-10(14-15-16-18)8-7-13-17-6-4-3-5-9(8)17/h3-7H,1-2H3,(H,19,20)
InChIKeyWYFXQYDKWBSGPZ-UHFFFAOYSA-N
XLogP0.81
TPSA98.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-3-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid
CID 103123576
2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid
CID 15007312
2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66040798
2-[5-(3-chloro-2-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 107101228
2-[5-(3-fluoro-4-pyridinyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66041203
2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 81461945
2-methyl-2-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid
CID 103123561
2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66040602
4-tert-butyl-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole-5-carboxylic acid
CID 103123520
2-(5-isoquinolin-1-yltetrazol-1-yl)-2-methylpropanoic acid
CID 66042998
3-(6-methylpyridazin-3-yl)pyrazolo[1,5-a]pyridine
CID 121014681
2-[5-(2-fluoro-4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 102885707

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid (CID 103123559) is 2-methyl-2-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid is CC(C)(C(=O)O)n1nnnc1-c1cnn2ccccc12.
What is the InChIKey of 2-methyl-2-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid?
The InChIKey is WYFXQYDKWBSGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2/c1-12(2,11(19)20)18-10(14-15-16-18)8-7-13-17-6-4-3-5-9(8)17/h3-7H,1-2H3,(H,19,20).
What are the key properties of 2-methyl-2-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid?
2-methyl-2-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid has a molecular weight of 272.27 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid is sourced from PubChem (CID 103123559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).