1-imidazo[1,2-a]pyridin-6-yl-3-propan-2-ylpyrazole-5-carboxylic acid

C14H14N4O2 — CID 70655603

IUPAC1-imidazo[1,2-a]pyridin-6-yl-3-propan-2-ylpyrazole-5-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)n(-c2ccc3nccn3c2)n1
InChIInChI=1S/C14H14N4O2/c1-9(2)11-7-12(14(19)20)18(16-11)10-3-4-13-15-5-6-17(13)8-10/h3-9H,1-2H3,(H,19,20)
InChIKeyCBJNDPGIBIPMMF-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.34
Rot. Bonds3

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

1-imidazo[1,2-a]pyridin-6-yl-3-propan-2-ylpyrazole-5-carboxylic acid (PubChem CID 70655603) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-imidazo[1,2-a]pyridin-6-yl-3-propan-2-ylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-imidazo[1,2-a]pyridin-6-yl-3-propan-2-ylpyrazole-5-carboxylic acid
PubChem CID70655603
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name1-imidazo[1,2-a]pyridin-6-yl-3-propan-2-ylpyrazole-5-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)n(-c2ccc3nccn3c2)n1
InChIInChI=1S/C14H14N4O2/c1-9(2)11-7-12(14(19)20)18(16-11)10-3-4-13-15-5-6-17(13)8-10/h3-9H,1-2H3,(H,19,20)
InChIKeyCBJNDPGIBIPMMF-UHFFFAOYSA-N
XLogP2.34
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-a]pyridin-6-yl-3-propan-2-ylpyrazole-5-carboxylic acid?
The IUPAC name of 1-imidazo[1,2-a]pyridin-6-yl-3-propan-2-ylpyrazole-5-carboxylic acid (CID 70655603) is 1-imidazo[1,2-a]pyridin-6-yl-3-propan-2-ylpyrazole-5-carboxylic acid.
What is the SMILES notation for 1-imidazo[1,2-a]pyridin-6-yl-3-propan-2-ylpyrazole-5-carboxylic acid?
The canonical SMILES for 1-imidazo[1,2-a]pyridin-6-yl-3-propan-2-ylpyrazole-5-carboxylic acid is CC(C)c1cc(C(=O)O)n(-c2ccc3nccn3c2)n1.
What is the InChIKey of 1-imidazo[1,2-a]pyridin-6-yl-3-propan-2-ylpyrazole-5-carboxylic acid?
The InChIKey is CBJNDPGIBIPMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9(2)11-7-12(14(19)20)18(16-11)10-3-4-13-15-5-6-17(13)8-10/h3-9H,1-2H3,(H,19,20).
What are the key properties of 1-imidazo[1,2-a]pyridin-6-yl-3-propan-2-ylpyrazole-5-carboxylic acid?
1-imidazo[1,2-a]pyridin-6-yl-3-propan-2-ylpyrazole-5-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,2-a]pyridin-6-yl-3-propan-2-ylpyrazole-5-carboxylic acid is sourced from PubChem (CID 70655603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).