6-bromoimidazo[1,2-a]pyrazine;6-(4-fluorophenyl)imidazo[1,2-a]pyrazine;1-[3-[6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;6-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyrazine

C51H34BrF6IN14O — CID 158076749

IUPAC6-bromoimidazo[1,2-a]pyrazine;6-(4-fluorophenyl)imidazo[1,2-a]pyrazine;1-[3-[6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;6-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyrazine
SMILESBrc1cn2ccnc2cn1.Fc1ccc(-c2cn3c(I)cnc3cn2)cc1.Fc1ccc(-c2cn3ccnc3cn2)cc1.O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cnc(-c4ccc(F)cc4)cn23)c1
InChIInChI=1S/C21H15F4N5O.C12H7FIN3.C12H8FN3.C6H4BrN3/c22-15-6-4-13(5-7-15)17-11-30-18(9-27-19(30)10-26-17)14-2-1-3-16(8-14)29-20(31)28-12-21(23,24)25;13-9-3-1-8(2-4-9)10-7-17-11(14)5-16-12(17)6-15-10;13-10-3-1-9(2-4-10)11-8-16-6-5-14-12(16)7-15-11;7-5-4-10-2-1-8-6(10)3-9-5/h1-11H,12H2,(H2,28,29,31);1-7H;1-8H;1-4H
InChIKeyFMLSMTNFMIYSFS-UHFFFAOYSA-N
MW1179.73 g/mol
LogP12.05
Rot. Bonds6

About 6-bromoimidazo[1,2-a]pyrazine;6-(4-fluorophenyl)imidazo[1,2-a]pyrazine;1-[3-[6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;6-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyrazine

6-bromoimidazo[1,2-a]pyrazine;6-(4-fluorophenyl)imidazo[1,2-a]pyrazine;1-[3-[6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;6-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyrazine (PubChem CID 158076749) has the molecular formula C51H34BrF6IN14O and a molecular weight of 1179.73 g/mol. Its IUPAC name is 6-bromoimidazo[1,2-a]pyrazine;6-(4-fluorophenyl)imidazo[1,2-a]pyrazine;1-[3-[6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;6-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromoimidazo[1,2-a]pyrazine;6-(4-fluorophenyl)imidazo[1,2-a]pyrazine;1-[3-[6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;6-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyrazine
PubChem CID158076749
Molecular FormulaC51H34BrF6IN14O
Molecular Weight1179.73 g/mol
Exact Mass1178.12
IUPAC Name6-bromoimidazo[1,2-a]pyrazine;6-(4-fluorophenyl)imidazo[1,2-a]pyrazine;1-[3-[6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;6-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyrazine
SMILESBrc1cn2ccnc2cn1.Fc1ccc(-c2cn3c(I)cnc3cn2)cc1.Fc1ccc(-c2cn3ccnc3cn2)cc1.O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cnc(-c4ccc(F)cc4)cn23)c1
InChIInChI=1S/C21H15F4N5O.C12H7FIN3.C12H8FN3.C6H4BrN3/c22-15-6-4-13(5-7-15)17-11-30-18(9-27-19(30)10-26-17)14-2-1-3-16(8-14)29-20(31)28-12-21(23,24)25;13-9-3-1-8(2-4-9)10-7-17-11(14)5-16-12(17)6-15-10;13-10-3-1-9(2-4-10)11-8-16-6-5-14-12(16)7-15-11;7-5-4-10-2-1-8-6(10)3-9-5/h1-11H,12H2,(H2,28,29,31);1-7H;1-8H;1-4H
InChIKeyFMLSMTNFMIYSFS-UHFFFAOYSA-N
XLogP12.05
TPSA161.89 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001179.73
LogP ≤ 512.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-bromoimidazo[1,2-a]pyrazine;6-(4-fluorophenyl)imidazo[1,2-a]pyrazine;1-[3-[6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;6-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyrazine with MolForge

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Related Compounds

1-(2-Fluoro-5-(trifluoromethyl)phenyl)-3-(3-(8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)urea
CID 11670863
1-(4-Fluoro-3-(trifluoromethyl)phenyl)-3-(3-(8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)urea
CID 11692136
1-[3-[7-(4-Imidazol-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68169988
1-[3-[7-(6-Piperidin-1-ylpyridin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68162992
1-[3-[7-[6-[4-(Aminomethyl)piperidin-1-yl]pyridin-3-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68168842
1-[3-[7-(4-Piperazin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68169968
1-[3-[7-(2-Imidazol-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68170022
1-(5-(4-amino-7-(piperidin-4-yl)-7H-pyrrolo[2,3-d]pyr-imidin-5-yl)imidazo[1,2-a]-pyridin-8-yl)-3-(4-((4-methyl-piperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)urea
CID 171090761
1-[3-[8-[2-(2-Fluorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 10007900
1-[5-Fluoro-2-(trifluoromethyl)phenyl]-3-[3-[8-(2-pyridin-4-ylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
CID 10460390
1-[[4-[7-[6-(4-Methylpiperazin-1-yl)pyridin-3-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 57863453
1-[3-[7-(6-Piperazin-1-ylpyridin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321150

Frequently Asked Questions

What is the IUPAC name of 6-bromoimidazo[1,2-a]pyrazine;6-(4-fluorophenyl)imidazo[1,2-a]pyrazine;1-[3-[6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;6-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromoimidazo[1,2-a]pyrazine;6-(4-fluorophenyl)imidazo[1,2-a]pyrazine;1-[3-[6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;6-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyrazine (CID 158076749) is 6-bromoimidazo[1,2-a]pyrazine;6-(4-fluorophenyl)imidazo[1,2-a]pyrazine;1-[3-[6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;6-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromoimidazo[1,2-a]pyrazine;6-(4-fluorophenyl)imidazo[1,2-a]pyrazine;1-[3-[6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;6-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromoimidazo[1,2-a]pyrazine;6-(4-fluorophenyl)imidazo[1,2-a]pyrazine;1-[3-[6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;6-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyrazine is Brc1cn2ccnc2cn1.Fc1ccc(-c2cn3c(I)cnc3cn2)cc1.Fc1ccc(-c2cn3ccnc3cn2)cc1.O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cnc(-c4ccc(F)cc4)cn23)c1.
What is the InChIKey of 6-bromoimidazo[1,2-a]pyrazine;6-(4-fluorophenyl)imidazo[1,2-a]pyrazine;1-[3-[6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;6-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyrazine?
The InChIKey is FMLSMTNFMIYSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N5O.C12H7FIN3.C12H8FN3.C6H4BrN3/c22-15-6-4-13(5-7-15)17-11-30-18(9-27-19(30)10-26-17)14-2-1-3-16(8-14)29-20(31)28-12-21(23,24)25;13-9-3-1-8(2-4-9)10-7-17-11(14)5-16-12(17)6-15-10;13-10-3-1-9(2-4-10)11-8-16-6-5-14-12(16)7-15-11;7-5-4-10-2-1-8-6(10)3-9-5/h1-11H,12H2,(H2,28,29,31);1-7H;1-8H;1-4H.
What are the key properties of 6-bromoimidazo[1,2-a]pyrazine;6-(4-fluorophenyl)imidazo[1,2-a]pyrazine;1-[3-[6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;6-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyrazine?
6-bromoimidazo[1,2-a]pyrazine;6-(4-fluorophenyl)imidazo[1,2-a]pyrazine;1-[3-[6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;6-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyrazine has a molecular weight of 1179.73 g/mol, XLogP of 12.05, 6 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromoimidazo[1,2-a]pyrazine;6-(4-fluorophenyl)imidazo[1,2-a]pyrazine;1-[3-[6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;6-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyrazine is sourced from PubChem (CID 158076749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).