6-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;8-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine;bis(8-[(2-fluorophenyl)methyl]-2-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine);8-[(4-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine

C84H59F19N30 — CID 157216872

IUPAC6-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;8-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine;bis(8-[(2-fluorophenyl)methyl]-2-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine);8-[(4-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
SMILESCc1cn2cc(-c3n[nH]c(C(F)(F)F)n3)nc(Cc3ccccc3F)c2n1.Cc1cn2cc(-c3n[nH]c(C(F)(F)F)n3)nc(Cc3ccccc3F)c2n1.Cc1nc(-c2cn3ccnc3c(Cc3ccccc3F)n2)nn1CC(F)(F)F.Fc1ccc(Cc2nc(-c3n[nH]c(C(F)(F)F)n3)cn3ccnc23)cc1.Fc1ccccc1Cc1nc(-c2n[nH]c(C(F)F)n2)cn2ccnc12
InChIInChI=1S/C18H14F4N6.2C17H12F4N6.C16H10F4N6.C16H11F3N6/c1-11-24-16(26-28(11)10-18(20,21)22)15-9-27-7-6-23-17(27)14(25-15)8-12-4-2-3-5-13(12)19;2*1-9-7-27-8-13(14-24-16(26-25-14)17(19,20)21)23-12(15(27)22-9)6-10-4-2-3-5-11(10)18;17-10-3-1-9(2-4-10)7-11-14-21-5-6-26(14)8-12(22-11)13-23-15(25-24-13)16(18,19)20;17-10-4-2-1-3-9(10)7-11-16-20-5-6-25(16)8-12(21-11)14-22-15(13(18)19)24-23-14/h2-7,9H,8,10H2,1H3;2*2-5,7-8H,6H2,1H3,(H,24,25,26);1-6,8H,7H2,(H,23,24,25);1-6,8,13H,7H2,(H,22,23,24)
InChIKeyASNGNKPKQRBFKA-UHFFFAOYSA-N
MW1849.57 g/mol
LogP17.18
Rot. Bonds17

About 6-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;8-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine;bis(8-[(2-fluorophenyl)methyl]-2-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine);8-[(4-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine

6-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;8-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine;bis(8-[(2-fluorophenyl)methyl]-2-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine);8-[(4-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine (PubChem CID 157216872) has the molecular formula C84H59F19N30 and a molecular weight of 1849.57 g/mol. Its IUPAC name is 6-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;8-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine;bis(8-[(2-fluorophenyl)methyl]-2-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine);8-[(4-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;8-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine;bis(8-[(2-fluorophenyl)methyl]-2-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine);8-[(4-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
PubChem CID157216872
Molecular FormulaC84H59F19N30
Molecular Weight1849.57 g/mol
Exact Mass1848.52
IUPAC Name6-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;8-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine;bis(8-[(2-fluorophenyl)methyl]-2-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine);8-[(4-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
SMILESCc1cn2cc(-c3n[nH]c(C(F)(F)F)n3)nc(Cc3ccccc3F)c2n1.Cc1cn2cc(-c3n[nH]c(C(F)(F)F)n3)nc(Cc3ccccc3F)c2n1.Cc1nc(-c2cn3ccnc3c(Cc3ccccc3F)n2)nn1CC(F)(F)F.Fc1ccc(Cc2nc(-c3n[nH]c(C(F)(F)F)n3)cn3ccnc23)cc1.Fc1ccccc1Cc1nc(-c2n[nH]c(C(F)F)n2)cn2ccnc12
InChIInChI=1S/C18H14F4N6.2C17H12F4N6.C16H10F4N6.C16H11F3N6/c1-11-24-16(26-28(11)10-18(20,21)22)15-9-27-7-6-23-17(27)14(25-15)8-12-4-2-3-5-13(12)19;2*1-9-7-27-8-13(14-24-16(26-25-14)17(19,20)21)23-12(15(27)22-9)6-10-4-2-3-5-11(10)18;17-10-3-1-9(2-4-10)7-11-14-21-5-6-26(14)8-12(22-11)13-23-15(25-24-13)16(18,19)20;17-10-4-2-1-3-9(10)7-11-16-20-5-6-25(16)8-12(21-11)14-22-15(13(18)19)24-23-14/h2-7,9H,8,10H2,1H3;2*2-5,7-8H,6H2,1H3,(H,24,25,26);1-6,8H,7H2,(H,23,24,25);1-6,8,13H,7H2,(H,22,23,24)
InChIKeyASNGNKPKQRBFKA-UHFFFAOYSA-N
XLogP17.18
TPSA347.94 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001849.57
LogP ≤ 517.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 6-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;8-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine;bis(8-[(2-fluorophenyl)methyl]-2-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine);8-[(4-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine with MolForge

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Related Compounds

6-(2-fluorophenyl)-7-(4-{4-[5-(6-methylpyridine-2-yl)-1H-[1,2,4]triazole-3-yl]-piperidine-1-ylmethyl}-phenyl)-imidazo[1,2-a]pyrimidine
CID 68795214
6-(4-fluorophenyl)-7-(4-{4-[5-(6-methylpyridine-2-yl)-1H-[1,2,4]triazole-3-yl]-piperidine-1-ylmethyl}-phenyl)-imidazo[1,2-a]pyrimidine
CID 86703054
3-(4-fluorophenyl)-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine
CID 25187867
3-(3-fluorophenyl)-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine
CID 25188134
6-fluoro-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine
CID 25188404
3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 25188953
6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 25190040
7-[4-[[4-[3-(5-fluoro-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-8-phenylimidazo[1,2-c]pyrimidine
CID 46869900
8-phenyl-7-[4-[[4-[3-[4-(trifluoromethyl)pyridin-2-yl]-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-c]pyrimidine
CID 46869902
6,8-difluoro-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine
CID 67028145
1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-cyclopropylurea;1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-ethylurea;3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-amine
CID 87151742
5,7-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;6,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 87327297

Frequently Asked Questions

What is the IUPAC name of 6-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;8-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine;bis(8-[(2-fluorophenyl)methyl]-2-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine);8-[(4-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;8-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine;bis(8-[(2-fluorophenyl)methyl]-2-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine);8-[(4-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine (CID 157216872) is 6-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;8-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine;bis(8-[(2-fluorophenyl)methyl]-2-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine);8-[(4-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;8-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine;bis(8-[(2-fluorophenyl)methyl]-2-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine);8-[(4-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;8-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine;bis(8-[(2-fluorophenyl)methyl]-2-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine);8-[(4-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine is Cc1cn2cc(-c3n[nH]c(C(F)(F)F)n3)nc(Cc3ccccc3F)c2n1.Cc1cn2cc(-c3n[nH]c(C(F)(F)F)n3)nc(Cc3ccccc3F)c2n1.Cc1nc(-c2cn3ccnc3c(Cc3ccccc3F)n2)nn1CC(F)(F)F.Fc1ccc(Cc2nc(-c3n[nH]c(C(F)(F)F)n3)cn3ccnc23)cc1.Fc1ccccc1Cc1nc(-c2n[nH]c(C(F)F)n2)cn2ccnc12.
What is the InChIKey of 6-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;8-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine;bis(8-[(2-fluorophenyl)methyl]-2-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine);8-[(4-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine?
The InChIKey is ASNGNKPKQRBFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N6.2C17H12F4N6.C16H10F4N6.C16H11F3N6/c1-11-24-16(26-28(11)10-18(20,21)22)15-9-27-7-6-23-17(27)14(25-15)8-12-4-2-3-5-13(12)19;2*1-9-7-27-8-13(14-24-16(26-25-14)17(19,20)21)23-12(15(27)22-9)6-10-4-2-3-5-11(10)18;17-10-3-1-9(2-4-10)7-11-14-21-5-6-26(14)8-12(22-11)13-23-15(25-24-13)16(18,19)20;17-10-4-2-1-3-9(10)7-11-16-20-5-6-25(16)8-12(21-11)14-22-15(13(18)19)24-23-14/h2-7,9H,8,10H2,1H3;2*2-5,7-8H,6H2,1H3,(H,24,25,26);1-6,8H,7H2,(H,23,24,25);1-6,8,13H,7H2,(H,22,23,24).
What are the key properties of 6-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;8-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine;bis(8-[(2-fluorophenyl)methyl]-2-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine);8-[(4-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine?
6-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;8-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine;bis(8-[(2-fluorophenyl)methyl]-2-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine);8-[(4-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine has a molecular weight of 1849.57 g/mol, XLogP of 17.18, 17 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;8-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine;bis(8-[(2-fluorophenyl)methyl]-2-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine);8-[(4-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 157216872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).