4-[4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1H-pyrazol-5-yl]benzoic acid

C22H15N5O2 — CID 23537474

IUPAC4-[4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1H-pyrazol-5-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4ccccn4)n3c2)cc1
InChIInChI=1S/C22H15N5O2/c28-22(29)15-6-4-14(5-7-15)21-17(11-25-26-21)16-8-9-20-24-12-19(27(20)13-16)18-3-1-2-10-23-18/h1-13H,(H,25,26)(H,28,29)
InChIKeyHMUGIRGPOWNWJZ-UHFFFAOYSA-N
MW381.40 g/mol
LogP4.15
Rot. Bonds4

About 4-[4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1H-pyrazol-5-yl]benzoic acid

4-[4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1H-pyrazol-5-yl]benzoic acid (PubChem CID 23537474) has the molecular formula C22H15N5O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 4-[4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1H-pyrazol-5-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1H-pyrazol-5-yl]benzoic acid
PubChem CID23537474
Molecular FormulaC22H15N5O2
Molecular Weight381.40 g/mol
Exact Mass381.12
IUPAC Name4-[4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1H-pyrazol-5-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4ccccn4)n3c2)cc1
InChIInChI=1S/C22H15N5O2/c28-22(29)15-6-4-14(5-7-15)21-17(11-25-26-21)16-8-9-20-24-12-19(27(20)13-16)18-3-1-2-10-23-18/h1-13H,(H,25,26)(H,28,29)
InChIKeyHMUGIRGPOWNWJZ-UHFFFAOYSA-N
XLogP4.15
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1H-pyrazol-5-yl]benzoic acid with MolForge

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Related Compounds

6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
6-(4-Benzoylphenyl)-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196213
4-[1-[3-(1-piperidyl)propyl]-2-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzimidazol-5-yl]benzoic acid
CID 71463558
4-[(E)-[[1-(1H-benzimidazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzoic acid
CID 10092260
4-[8-(2,6-Dimethylphenylamino)imidazo[1,5-a]-pyrazin-5-yl]benzoic acid
CID 44422549
4-[6-(Cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 44573514
4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzoic acid
CID 45487437
methyl 3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate
CID 54767418
US10214537, Example 13
CID 132210105
2-(5-isoquinolin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzoimidazole-4-carboxylic acid
CID 136118033
4-[2-[2-(1H-benzimidazol-2-yl)ethynyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 117728626
US10087188, Example 26
CID 121455605

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1H-pyrazol-5-yl]benzoic acid?
The IUPAC name of 4-[4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1H-pyrazol-5-yl]benzoic acid (CID 23537474) is 4-[4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1H-pyrazol-5-yl]benzoic acid.
What is the SMILES notation for 4-[4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1H-pyrazol-5-yl]benzoic acid?
The canonical SMILES for 4-[4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1H-pyrazol-5-yl]benzoic acid is O=C(O)c1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4ccccn4)n3c2)cc1.
What is the InChIKey of 4-[4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1H-pyrazol-5-yl]benzoic acid?
The InChIKey is HMUGIRGPOWNWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O2/c28-22(29)15-6-4-14(5-7-15)21-17(11-25-26-21)16-8-9-20-24-12-19(27(20)13-16)18-3-1-2-10-23-18/h1-13H,(H,25,26)(H,28,29).
What are the key properties of 4-[4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1H-pyrazol-5-yl]benzoic acid?
4-[4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1H-pyrazol-5-yl]benzoic acid has a molecular weight of 381.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1H-pyrazol-5-yl]benzoic acid is sourced from PubChem (CID 23537474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).