3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid

C21H19N5O2 — CID 53003286

IUPAC3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid
SMILESCN(C)c1ccc(-c2nc3cnccn3c2Nc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C21H19N5O2/c1-25(2)17-8-6-14(7-9-17)19-20(26-11-10-22-13-18(26)24-19)23-16-5-3-4-15(12-16)21(27)28/h3-13,23H,1-2H3,(H,27,28)
InChIKeyKOYVRYIMVPRKAL-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.90
Rot. Bonds5

About 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid

3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid (PubChem CID 53003286) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid
PubChem CID53003286
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid
SMILESCN(C)c1ccc(-c2nc3cnccn3c2Nc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C21H19N5O2/c1-25(2)17-8-6-14(7-9-17)19-20(26-11-10-22-13-18(26)24-19)23-16-5-3-4-15(12-16)21(27)28/h3-13,23H,1-2H3,(H,27,28)
InChIKeyKOYVRYIMVPRKAL-UHFFFAOYSA-N
XLogP3.90
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoate
CID 53207862
3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid
CID 53207883
4-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid
CID 53003283
3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzamide
CID 53207762
3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-methylbenzamide
CID 53207768
N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-amine
CID 7299187
4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid
CID 53208276
1-[4-(2,6-dichlorophenyl)piperazin-1-yl]-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone
CID 56837127
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(furan-2-ylmethyl)benzamide
CID 53207803
N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 53032470
methyl 4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]benzoate
CID 53003281
2-(4-aminophenyl)-N-[3-(iodomethyl)phenyl]imidazo[1,2-a]pyrazin-3-amine
CID 89350559

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid?
The IUPAC name of 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid (CID 53003286) is 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid.
What is the SMILES notation for 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid?
The canonical SMILES for 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid is CN(C)c1ccc(-c2nc3cnccn3c2Nc2cccc(C(=O)O)c2)cc1.
What is the InChIKey of 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid?
The InChIKey is KOYVRYIMVPRKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-25(2)17-8-6-14(7-9-17)19-20(26-11-10-22-13-18(26)24-19)23-16-5-3-4-15(12-16)21(27)28/h3-13,23H,1-2H3,(H,27,28).
What are the key properties of 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid?
3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid has a molecular weight of 373.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid is sourced from PubChem (CID 53003286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).