5-amino-3-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoic acid

C13H13ClN4O2 — CID 107195778

IUPAC5-amino-3-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoic acid
SMILESNc1cc(Cl)c(N2CCn3ccnc3C2)c(C(=O)O)c1
InChIInChI=1S/C13H13ClN4O2/c14-10-6-8(15)5-9(13(19)20)12(10)18-4-3-17-2-1-16-11(17)7-18/h1-2,5-6H,3-4,7,15H2,(H,19,20)
InChIKeyAJSKOKFPLDGRRZ-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.84
Rot. Bonds2

About 5-amino-3-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoic acid

5-amino-3-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoic acid (PubChem CID 107195778) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoic acid.

Molecular Properties

Compound Name5-amino-3-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoic acid
PubChem CID107195778
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name5-amino-3-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoic acid
SMILESNc1cc(Cl)c(N2CCn3ccnc3C2)c(C(=O)O)c1
InChIInChI=1S/C13H13ClN4O2/c14-10-6-8(15)5-9(13(19)20)12(10)18-4-3-17-2-1-16-11(17)7-18/h1-2,5-6H,3-4,7,15H2,(H,19,20)
InChIKeyAJSKOKFPLDGRRZ-UHFFFAOYSA-N
XLogP1.84
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carboxylic acid
CID 63024771
5-amino-3-chloro-2-(3,3-dimethylpyrrolidin-1-yl)benzoic acid
CID 107196307
5-amino-3-chloro-2-(2-propylimidazol-1-yl)benzoic acid
CID 107197117
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline
CID 63015338
5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline
CID 63014980
4-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzamide
CID 63356456
5-amino-3-chloro-2-(4-chloropyrazol-1-yl)benzoic acid
CID 107197071
5-amino-3-chloro-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzoic acid
CID 107196910
1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol
CID 55149781
5-amino-3-chloro-2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid
CID 107195975
6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridin-2-amine
CID 80653308
5-amino-3-chloro-2-(2-methyl-1,4-oxazepan-4-yl)benzoic acid
CID 107195739

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoic acid?
The IUPAC name of 5-amino-3-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoic acid (CID 107195778) is 5-amino-3-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoic acid.
What is the SMILES notation for 5-amino-3-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoic acid?
The canonical SMILES for 5-amino-3-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoic acid is Nc1cc(Cl)c(N2CCn3ccnc3C2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-3-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoic acid?
The InChIKey is AJSKOKFPLDGRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c14-10-6-8(15)5-9(13(19)20)12(10)18-4-3-17-2-1-16-11(17)7-18/h1-2,5-6H,3-4,7,15H2,(H,19,20).
What are the key properties of 5-amino-3-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoic acid?
5-amino-3-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoic acid has a molecular weight of 292.73 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoic acid is sourced from PubChem (CID 107195778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).