6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid

C21H14N4O2 — CID 118645877

IUPAC6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
SMILESCc1ccc(-c2c(-c3ccc(C#N)cc3)nc(C(=O)O)c3nccn23)cc1
InChIInChI=1S/C21H14N4O2/c1-13-2-6-16(7-3-13)19-17(15-8-4-14(12-22)5-9-15)24-18(21(26)27)20-23-10-11-25(19)20/h2-11H,1H3,(H,26,27)
InChIKeyDXFDAZBCMHSXTL-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.94
Rot. Bonds3

About 6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid

6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid (PubChem CID 118645877) has the molecular formula C21H14N4O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid.

Molecular Properties

Compound Name6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
PubChem CID118645877
Molecular FormulaC21H14N4O2
Molecular Weight354.37 g/mol
Exact Mass354.11
IUPAC Name6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
SMILESCc1ccc(-c2c(-c3ccc(C#N)cc3)nc(C(=O)O)c3nccn23)cc1
InChIInChI=1S/C21H14N4O2/c1-13-2-6-16(7-3-13)19-17(15-8-4-14(12-22)5-9-15)24-18(21(26)27)20-23-10-11-25(19)20/h2-11H,1H3,(H,26,27)
InChIKeyDXFDAZBCMHSXTL-UHFFFAOYSA-N
XLogP3.94
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrazine-2-carboxylic acid
CID 15657929
5-methyl-3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrazine-2-carboxylic acid
CID 15657928
1-(4-(7-Benzylimidazo[1,2-a]pyridin-2-yl)-3-fluorobenzyl)azetidine-3-carboxylic acid
CID 53318790
N-(4-cyanophenyl)-N-methyl-3-(4-(trifluoromethyl)phenyl)imidazo[1,2-a]pyrazine-6-carboxamide
CID 74767274
Imidazo(1,2-a)pyridine-3-carboxylic acid, 7-methyl-
CID 89055
5-Methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 2062169
6-(Trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 27282729
1-[4-(4-Tert-butylphenyl)-3-cyanophenyl]imidazole-4-carboxylic acid
CID 162658532
1-(4-(6-Benzylimidazo[1,2-a]pyridin-2-yl)-3-fluorobenzyl)azetidine-3-carboxylic acid
CID 53326615
N-(6-cyanopyridin-3-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 74767110
2,7-Dimethylimidazo(1,2-a)pyridine-3-carboxylic acid
CID 2736254
1-(3-Cyano-1-propan-2-ylindol-5-yl)imidazole-4-carboxylic acid
CID 51353126

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid?
The IUPAC name of 6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid (CID 118645877) is 6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid.
What is the SMILES notation for 6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid?
The canonical SMILES for 6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid is Cc1ccc(-c2c(-c3ccc(C#N)cc3)nc(C(=O)O)c3nccn23)cc1.
What is the InChIKey of 6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid?
The InChIKey is DXFDAZBCMHSXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2/c1-13-2-6-16(7-3-13)19-17(15-8-4-14(12-22)5-9-15)24-18(21(26)27)20-23-10-11-25(19)20/h2-11H,1H3,(H,26,27).
What are the key properties of 6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid?
6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid has a molecular weight of 354.37 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid is sourced from PubChem (CID 118645877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).