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

C24H17F2N5O2 — CID 137372620

IUPAC8-amino-3-ethyl-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid
SMILESCCc1c(C(=O)O)nc2c(N)nc(-c3cccc(F)c3)c(-c3cc(F)c4ncccc4c3)n12
InChIInChI=1S/C24H17F2N5O2/c1-2-17-20(24(32)33)30-23-22(27)29-19(13-5-3-7-15(25)10-13)21(31(17)23)14-9-12-6-4-8-28-18(12)16(26)11-14/h3-11H,2H2,1H3,(H2,27,29)(H,32,33)
InChIKeyZKEJQMTWLIWTJU-UHFFFAOYSA-N
MW445.43 g/mol
LogP4.73
Rot. Bonds4

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

8-amino-3-ethyl-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid (PubChem CID 137372620) has the molecular formula C24H17F2N5O2 and a molecular weight of 445.43 g/mol. Its IUPAC name is 8-amino-3-ethyl-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name8-amino-3-ethyl-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid
PubChem CID137372620
Molecular FormulaC24H17F2N5O2
Molecular Weight445.43 g/mol
Exact Mass445.14
IUPAC Name8-amino-3-ethyl-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid
SMILESCCc1c(C(=O)O)nc2c(N)nc(-c3cccc(F)c3)c(-c3cc(F)c4ncccc4c3)n12
InChIInChI=1S/C24H17F2N5O2/c1-2-17-20(24(32)33)30-23-22(27)29-19(13-5-3-7-15(25)10-13)21(31(17)23)14-9-12-6-4-8-28-18(12)16(26)11-14/h3-11H,2H2,1H3,(H2,27,29)(H,32,33)
InChIKeyZKEJQMTWLIWTJU-UHFFFAOYSA-N
XLogP4.73
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.43
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-amino-6-(3-cyanophenyl)-3-ethyl-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 137372679
6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 137372339
6-[8-amino-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-5-yl]-N,N-dimethylquinolin-8-amine
CID 137372474
6-(3-fluorophenyl)-5-(8-isocyanoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 155642592
3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 137430160
8-(3-fluorophenyl)-6-propyl-1,7-naphthyridine
CID 174570438
5-(8-fluoroquinolin-6-yl)-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 137372734
2-[2-(3-fluorophenyl)-3-pyridinyl]acetic acid
CID 117001575
8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 137372419
6-[8-amino-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-5-yl]naphthalen-1-ol
CID 137372580
3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide
CID 137430443
4-ethyl-5-(3-fluorophenyl)-1-methylpyrazol-3-amine
CID 105474027

Frequently Asked Questions

What is the IUPAC name of 8-amino-3-ethyl-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid?
The IUPAC name of 8-amino-3-ethyl-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid (CID 137372620) is 8-amino-3-ethyl-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 8-amino-3-ethyl-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 8-amino-3-ethyl-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid is CCc1c(C(=O)O)nc2c(N)nc(-c3cccc(F)c3)c(-c3cc(F)c4ncccc4c3)n12.
What is the InChIKey of 8-amino-3-ethyl-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid?
The InChIKey is ZKEJQMTWLIWTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N5O2/c1-2-17-20(24(32)33)30-23-22(27)29-19(13-5-3-7-15(25)10-13)21(31(17)23)14-9-12-6-4-8-28-18(12)16(26)11-14/h3-11H,2H2,1H3,(H2,27,29)(H,32,33).
What are the key properties of 8-amino-3-ethyl-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid?
8-amino-3-ethyl-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid has a molecular weight of 445.43 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-ethyl-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 137372620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).