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

C23H20FN5O3 — CID 24856848

IUPAC2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1F
InChIInChI=1S/C23H20FN5O3/c24-19-13-15(1-6-18(19)23(30)31)20-14-26-21(22-25-7-8-29(20)22)27-16-2-4-17(5-3-16)28-9-11-32-12-10-28/h1-8,13-14H,9-12H2,(H,26,27)(H,30,31)
InChIKeyNIFGYIWOYZGGKP-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.81
Rot. Bonds5

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

2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzoic acid (PubChem CID 24856848) has the molecular formula C23H20FN5O3 and a molecular weight of 433.44 g/mol. Its IUPAC name is 2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzoic acid
PubChem CID24856848
Molecular FormulaC23H20FN5O3
Molecular Weight433.44 g/mol
Exact Mass433.16
IUPAC Name2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1F
InChIInChI=1S/C23H20FN5O3/c24-19-13-15(1-6-18(19)23(30)31)20-14-26-21(22-25-7-8-29(20)22)27-16-2-4-17(5-3-16)28-9-11-32-12-10-28/h1-8,13-14H,9-12H2,(H,26,27)(H,30,31)
InChIKeyNIFGYIWOYZGGKP-UHFFFAOYSA-N
XLogP3.81
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzoic acid with MolForge

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Related Compounds

3-((2'-Carboxybiphenyl-4-yl)methyl)-2-cyclopropyl-7-methyl-3H-imidazo(4,5-b)pyridine
CID 131857
Zolpidem carboxylic acid
CID 11966044
US10087188, Example 30
CID 121454982
US10087188, Example 168
CID 121455523
US10087188, Example 158
CID 121455701
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
Camlipixant
CID 76955630
4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]benzoic acid
CID 11057468
N-(2-cyclopropyl-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl)-4''-(trifluoromethyl)biphenyl-4-carboxamide
CID 23120582
4-[8-(4-Morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide
CID 24856513
4-[8-(2,6-Dimethylphenylamino)imidazo[1,5-a]-pyrazin-5-yl]benzoic acid
CID 44422549
N-(2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl)-4''-(trifluoromethyl)biphenyl-4-carboxamide
CID 45268527

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzoic acid?
The IUPAC name of 2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzoic acid (CID 24856848) is 2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzoic acid?
The canonical SMILES for 2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzoic acid is O=C(O)c1ccc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1F.
What is the InChIKey of 2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzoic acid?
The InChIKey is NIFGYIWOYZGGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3/c24-19-13-15(1-6-18(19)23(30)31)20-14-26-21(22-25-7-8-29(20)22)27-16-2-4-17(5-3-16)28-9-11-32-12-10-28/h1-8,13-14H,9-12H2,(H,26,27)(H,30,31).
What are the key properties of 2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzoic acid?
2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzoic acid has a molecular weight of 433.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzoic acid is sourced from PubChem (CID 24856848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).