2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazine;2-(2,4-difluorophenyl)-8-ethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine

C33H26F4N8S — CID 157109822

IUPAC2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazine;2-(2,4-difluorophenyl)-8-ethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine
SMILESCCc1nccn2c(-c3ccnc(SC)n3)c(-c3ccc(F)cc3F)nc12.CCc1nccn2cc(-c3ccc(F)cc3F)nc12
InChIInChI=1S/C19H15F2N5S.C14H11F2N3/c1-3-14-18-25-16(12-5-4-11(20)10-13(12)21)17(26(18)9-8-22-14)15-6-7-23-19(24-15)27-2;1-2-12-14-18-13(8-19(14)6-5-17-12)10-4-3-9(15)7-11(10)16/h4-10H,3H2,1-2H3;3-8H,2H2,1H3
InChIKeyAGSHVNBBEZLKJQ-UHFFFAOYSA-N
MW642.69 g/mol
LogP7.65
Rot. Bonds6

About 2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazine;2-(2,4-difluorophenyl)-8-ethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine

2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazine;2-(2,4-difluorophenyl)-8-ethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine (PubChem CID 157109822) has the molecular formula C33H26F4N8S and a molecular weight of 642.69 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazine;2-(2,4-difluorophenyl)-8-ethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazine;2-(2,4-difluorophenyl)-8-ethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine
PubChem CID157109822
Molecular FormulaC33H26F4N8S
Molecular Weight642.69 g/mol
Exact Mass642.19
IUPAC Name2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazine;2-(2,4-difluorophenyl)-8-ethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine
SMILESCCc1nccn2c(-c3ccnc(SC)n3)c(-c3ccc(F)cc3F)nc12.CCc1nccn2cc(-c3ccc(F)cc3F)nc12
InChIInChI=1S/C19H15F2N5S.C14H11F2N3/c1-3-14-18-25-16(12-5-4-11(20)10-13(12)21)17(26(18)9-8-22-14)15-6-7-23-19(24-15)27-2;1-2-12-14-18-13(8-19(14)6-5-17-12)10-4-3-9(15)7-11(10)16/h4-10H,3H2,1-2H3;3-8H,2H2,1H3
InChIKeyAGSHVNBBEZLKJQ-UHFFFAOYSA-N
XLogP7.65
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.69
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazine;2-(2,4-difluorophenyl)-8-ethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine with MolForge

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Related Compounds

Fazadinium Bromide
CID 6321422
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
[3-(1H-imidazol-1-yl)propyl]({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)amine
CID 24971390
US11420970, Example 198
CID 156073186
Cyclopentyl-{4-[2-(4-fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-amine
CID 9826083
4-(2-(4-Fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 9844057
{4-[(S)-2-(4-Fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-(1-phenyl-ethyl)-amine
CID 9957918
4-(7-(1-Ethylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 10070518
4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-imidazo[1,2-a]pyridin-3-yl)-N-((S)-1-phenylethyl)pyrimidin-2-amine
CID 10162057
4-{7-[2-(Dimethylamino)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine
CID 10339487
4-[7-(2-Dimethylamino-1,1-dimethylethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 11741968

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazine;2-(2,4-difluorophenyl)-8-ethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine?
The IUPAC name of 2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazine;2-(2,4-difluorophenyl)-8-ethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine (CID 157109822) is 2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazine;2-(2,4-difluorophenyl)-8-ethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazine;2-(2,4-difluorophenyl)-8-ethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazine;2-(2,4-difluorophenyl)-8-ethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine is CCc1nccn2c(-c3ccnc(SC)n3)c(-c3ccc(F)cc3F)nc12.CCc1nccn2cc(-c3ccc(F)cc3F)nc12.
What is the InChIKey of 2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazine;2-(2,4-difluorophenyl)-8-ethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine?
The InChIKey is AGSHVNBBEZLKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5S.C14H11F2N3/c1-3-14-18-25-16(12-5-4-11(20)10-13(12)21)17(26(18)9-8-22-14)15-6-7-23-19(24-15)27-2;1-2-12-14-18-13(8-19(14)6-5-17-12)10-4-3-9(15)7-11(10)16/h4-10H,3H2,1-2H3;3-8H,2H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazine;2-(2,4-difluorophenyl)-8-ethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine?
2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazine;2-(2,4-difluorophenyl)-8-ethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine has a molecular weight of 642.69 g/mol, XLogP of 7.65, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazine;2-(2,4-difluorophenyl)-8-ethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 157109822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).