3-tert-butyl-1-imidazo[1,2-a]pyridin-6-ylpyrazole-5-carboxylic acid

C15H16N4O2 — CID 70655711

IUPAC3-tert-butyl-1-imidazo[1,2-a]pyridin-6-ylpyrazole-5-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)O)n(-c2ccc3nccn3c2)n1
InChIInChI=1S/C15H16N4O2/c1-15(2,3)12-8-11(14(20)21)19(17-12)10-4-5-13-16-6-7-18(13)9-10/h4-9H,1-3H3,(H,20,21)
InChIKeyQCUWPFXSPMPQIN-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.52
Rot. Bonds2

About 3-tert-butyl-1-imidazo[1,2-a]pyridin-6-ylpyrazole-5-carboxylic acid

3-tert-butyl-1-imidazo[1,2-a]pyridin-6-ylpyrazole-5-carboxylic acid (PubChem CID 70655711) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-tert-butyl-1-imidazo[1,2-a]pyridin-6-ylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-1-imidazo[1,2-a]pyridin-6-ylpyrazole-5-carboxylic acid
PubChem CID70655711
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-tert-butyl-1-imidazo[1,2-a]pyridin-6-ylpyrazole-5-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)O)n(-c2ccc3nccn3c2)n1
InChIInChI=1S/C15H16N4O2/c1-15(2,3)12-8-11(14(20)21)19(17-12)10-4-5-13-16-6-7-18(13)9-10/h4-9H,1-3H3,(H,20,21)
InChIKeyQCUWPFXSPMPQIN-UHFFFAOYSA-N
XLogP2.52
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-imidazo[1,2-a]pyridin-6-ylpyrazole-5-carboxylic acid?
The IUPAC name of 3-tert-butyl-1-imidazo[1,2-a]pyridin-6-ylpyrazole-5-carboxylic acid (CID 70655711) is 3-tert-butyl-1-imidazo[1,2-a]pyridin-6-ylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-tert-butyl-1-imidazo[1,2-a]pyridin-6-ylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-tert-butyl-1-imidazo[1,2-a]pyridin-6-ylpyrazole-5-carboxylic acid is CC(C)(C)c1cc(C(=O)O)n(-c2ccc3nccn3c2)n1.
What is the InChIKey of 3-tert-butyl-1-imidazo[1,2-a]pyridin-6-ylpyrazole-5-carboxylic acid?
The InChIKey is QCUWPFXSPMPQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-15(2,3)12-8-11(14(20)21)19(17-12)10-4-5-13-16-6-7-18(13)9-10/h4-9H,1-3H3,(H,20,21).
What are the key properties of 3-tert-butyl-1-imidazo[1,2-a]pyridin-6-ylpyrazole-5-carboxylic acid?
3-tert-butyl-1-imidazo[1,2-a]pyridin-6-ylpyrazole-5-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-imidazo[1,2-a]pyridin-6-ylpyrazole-5-carboxylic acid is sourced from PubChem (CID 70655711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).