4-[8-morpholin-4-yl-2-(2-pyridin-2-ylethynyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid

C24H19N5O3 — CID 123133234

IUPAC4-[8-morpholin-4-yl-2-(2-pyridin-2-ylethynyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnc(N3CCOCC3)c3nc(C#Cc4ccccn4)cn23)cc1
InChIInChI=1S/C24H19N5O3/c30-24(31)18-6-4-17(5-7-18)21-15-26-22(28-11-13-32-14-12-28)23-27-20(16-29(21)23)9-8-19-3-1-2-10-25-19/h1-7,10,15-16H,11-14H2,(H,30,31)
InChIKeyCZVDHEDVFMJBMC-UHFFFAOYSA-N
MW425.45 g/mol
LogP2.73
Rot. Bonds3

About 4-[8-morpholin-4-yl-2-(2-pyridin-2-ylethynyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid

4-[8-morpholin-4-yl-2-(2-pyridin-2-ylethynyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid (PubChem CID 123133234) has the molecular formula C24H19N5O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is 4-[8-morpholin-4-yl-2-(2-pyridin-2-ylethynyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid.

Molecular Properties

Compound Name4-[8-morpholin-4-yl-2-(2-pyridin-2-ylethynyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid
PubChem CID123133234
Molecular FormulaC24H19N5O3
Molecular Weight425.45 g/mol
Exact Mass425.15
IUPAC Name4-[8-morpholin-4-yl-2-(2-pyridin-2-ylethynyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnc(N3CCOCC3)c3nc(C#Cc4ccccn4)cn23)cc1
InChIInChI=1S/C24H19N5O3/c30-24(31)18-6-4-17(5-7-18)21-15-26-22(28-11-13-32-14-12-28)23-27-20(16-29(21)23)9-8-19-3-1-2-10-25-19/h1-7,10,15-16H,11-14H2,(H,30,31)
InChIKeyCZVDHEDVFMJBMC-UHFFFAOYSA-N
XLogP2.73
TPSA92.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[8-morpholin-4-yl-2-(2-pyridin-2-ylethynyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid?
The IUPAC name of 4-[8-morpholin-4-yl-2-(2-pyridin-2-ylethynyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid (CID 123133234) is 4-[8-morpholin-4-yl-2-(2-pyridin-2-ylethynyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid.
What is the SMILES notation for 4-[8-morpholin-4-yl-2-(2-pyridin-2-ylethynyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid?
The canonical SMILES for 4-[8-morpholin-4-yl-2-(2-pyridin-2-ylethynyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid is O=C(O)c1ccc(-c2cnc(N3CCOCC3)c3nc(C#Cc4ccccn4)cn23)cc1.
What is the InChIKey of 4-[8-morpholin-4-yl-2-(2-pyridin-2-ylethynyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid?
The InChIKey is CZVDHEDVFMJBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3/c30-24(31)18-6-4-17(5-7-18)21-15-26-22(28-11-13-32-14-12-28)23-27-20(16-29(21)23)9-8-19-3-1-2-10-25-19/h1-7,10,15-16H,11-14H2,(H,30,31).
What are the key properties of 4-[8-morpholin-4-yl-2-(2-pyridin-2-ylethynyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid?
4-[8-morpholin-4-yl-2-(2-pyridin-2-ylethynyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid has a molecular weight of 425.45 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-morpholin-4-yl-2-(2-pyridin-2-ylethynyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid is sourced from PubChem (CID 123133234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).