8-[(1-phenylpyrazol-4-yl)methylcarbamoyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carboxylic acid

C24H18N6O3 — CID 59588533

IUPAC8-[(1-phenylpyrazol-4-yl)methylcarbamoyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(NCc1cnn(-c2ccccc2)c1)c1cccn2c(C(=O)O)c(-c3ccccn3)nc12
InChIInChI=1S/C24H18N6O3/c31-23(26-13-16-14-27-30(15-16)17-7-2-1-3-8-17)18-9-6-12-29-21(24(32)33)20(28-22(18)29)19-10-4-5-11-25-19/h1-12,14-15H,13H2,(H,26,31)(H,32,33)
InChIKeyIRNMDSSAVJXEPT-UHFFFAOYSA-N
MW438.45 g/mol
LogP3.21
Rot. Bonds6

About 8-[(1-phenylpyrazol-4-yl)methylcarbamoyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carboxylic acid

8-[(1-phenylpyrazol-4-yl)methylcarbamoyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 59588533) has the molecular formula C24H18N6O3 and a molecular weight of 438.45 g/mol. Its IUPAC name is 8-[(1-phenylpyrazol-4-yl)methylcarbamoyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name8-[(1-phenylpyrazol-4-yl)methylcarbamoyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID59588533
Molecular FormulaC24H18N6O3
Molecular Weight438.45 g/mol
Exact Mass438.14
IUPAC Name8-[(1-phenylpyrazol-4-yl)methylcarbamoyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(NCc1cnn(-c2ccccc2)c1)c1cccn2c(C(=O)O)c(-c3ccccn3)nc12
InChIInChI=1S/C24H18N6O3/c31-23(26-13-16-14-27-30(15-16)17-7-2-1-3-8-17)18-9-6-12-29-21(24(32)33)20(28-22(18)29)19-10-4-5-11-25-19/h1-12,14-15H,13H2,(H,26,31)(H,32,33)
InChIKeyIRNMDSSAVJXEPT-UHFFFAOYSA-N
XLogP3.21
TPSA114.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-phenylpyrazol-4-yl)methylcarbamoyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 8-[(1-phenylpyrazol-4-yl)methylcarbamoyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 59588533) is 8-[(1-phenylpyrazol-4-yl)methylcarbamoyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 8-[(1-phenylpyrazol-4-yl)methylcarbamoyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 8-[(1-phenylpyrazol-4-yl)methylcarbamoyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carboxylic acid is O=C(NCc1cnn(-c2ccccc2)c1)c1cccn2c(C(=O)O)c(-c3ccccn3)nc12.
What is the InChIKey of 8-[(1-phenylpyrazol-4-yl)methylcarbamoyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is IRNMDSSAVJXEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O3/c31-23(26-13-16-14-27-30(15-16)17-7-2-1-3-8-17)18-9-6-12-29-21(24(32)33)20(28-22(18)29)19-10-4-5-11-25-19/h1-12,14-15H,13H2,(H,26,31)(H,32,33).
What are the key properties of 8-[(1-phenylpyrazol-4-yl)methylcarbamoyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carboxylic acid?
8-[(1-phenylpyrazol-4-yl)methylcarbamoyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 438.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-phenylpyrazol-4-yl)methylcarbamoyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 59588533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).