8-amino-6-(3-cyanophenyl)-3-ethyl-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid

C25H17FN6O2 — CID 137372679

IUPAC8-amino-6-(3-cyanophenyl)-3-ethyl-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid
SMILESCCc1c(C(=O)O)nc2c(N)nc(-c3cccc(C#N)c3)c(-c3cc(F)c4ncccc4c3)n12
InChIInChI=1S/C25H17FN6O2/c1-2-18-21(25(33)34)31-24-23(28)30-20(14-6-3-5-13(9-14)12-27)22(32(18)24)16-10-15-7-4-8-29-19(15)17(26)11-16/h3-11H,2H2,1H3,(H2,28,30)(H,33,34)
InChIKeyLCCUNECSHKWCQM-UHFFFAOYSA-N
MW452.45 g/mol
LogP4.47
Rot. Bonds4

About 8-amino-6-(3-cyanophenyl)-3-ethyl-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid

8-amino-6-(3-cyanophenyl)-3-ethyl-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid (PubChem CID 137372679) has the molecular formula C25H17FN6O2 and a molecular weight of 452.45 g/mol. Its IUPAC name is 8-amino-6-(3-cyanophenyl)-3-ethyl-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name8-amino-6-(3-cyanophenyl)-3-ethyl-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid
PubChem CID137372679
Molecular FormulaC25H17FN6O2
Molecular Weight452.45 g/mol
Exact Mass452.14
IUPAC Name8-amino-6-(3-cyanophenyl)-3-ethyl-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid
SMILESCCc1c(C(=O)O)nc2c(N)nc(-c3cccc(C#N)c3)c(-c3cc(F)c4ncccc4c3)n12
InChIInChI=1S/C25H17FN6O2/c1-2-18-21(25(33)34)31-24-23(28)30-20(14-6-3-5-13(9-14)12-27)22(32(18)24)16-10-15-7-4-8-29-19(15)17(26)11-16/h3-11H,2H2,1H3,(H2,28,30)(H,33,34)
InChIKeyLCCUNECSHKWCQM-UHFFFAOYSA-N
XLogP4.47
TPSA130.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.45
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-amino-3-ethyl-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 137372620
6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 137372339
2-[4-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperazin-1-yl]acetic acid
CID 10317223
3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 137430160
3-quinolin-8-ylbenzonitrile
CID 4189045
5-(8-fluoroquinolin-6-yl)-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 137372734
3-(6-amino-5-bromo-3-quinolin-6-ylpyrazin-2-yl)benzonitrile
CID 154604788
3-amino-5-(3-cyanophenyl)-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 164607280
3-(8-amino-4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzonitrile
CID 44612217
[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl] cyclohexanecarboxylate
CID 91536421
3-[8-amino-2-[(2-fluorophenyl)-hydroxymethyl]-5-pyrimidin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile
CID 146307029
3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile
CID 10089791

Frequently Asked Questions

What is the IUPAC name of 8-amino-6-(3-cyanophenyl)-3-ethyl-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid?
The IUPAC name of 8-amino-6-(3-cyanophenyl)-3-ethyl-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid (CID 137372679) is 8-amino-6-(3-cyanophenyl)-3-ethyl-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 8-amino-6-(3-cyanophenyl)-3-ethyl-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 8-amino-6-(3-cyanophenyl)-3-ethyl-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid is CCc1c(C(=O)O)nc2c(N)nc(-c3cccc(C#N)c3)c(-c3cc(F)c4ncccc4c3)n12.
What is the InChIKey of 8-amino-6-(3-cyanophenyl)-3-ethyl-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid?
The InChIKey is LCCUNECSHKWCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN6O2/c1-2-18-21(25(33)34)31-24-23(28)30-20(14-6-3-5-13(9-14)12-27)22(32(18)24)16-10-15-7-4-8-29-19(15)17(26)11-16/h3-11H,2H2,1H3,(H2,28,30)(H,33,34).
What are the key properties of 8-amino-6-(3-cyanophenyl)-3-ethyl-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid?
8-amino-6-(3-cyanophenyl)-3-ethyl-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid has a molecular weight of 452.45 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-(3-cyanophenyl)-3-ethyl-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 137372679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).