6-(3-cyclobutyl-4-fluorophenyl)-2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazine;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine;4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)imidazo[1,2-a]pyrazine

C122H94F17N23O3 — CID 159568876

IUPAC6-(3-cyclobutyl-4-fluorophenyl)-2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazine;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine;4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)imidazo[1,2-a]pyrazine
SMILESC#CCOc1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(C)(F)F)nc3cn2)ccc1F.CC(C)Oc1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(C)(F)F)nc3cn2)ccc1F.CC(C)c1cc(-c2cn3c(-c4c(F)cc(O)cc4F)c(C4CC4)nc3cn2)ccc1F.CC(C)c1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C4CC4)nc3cn2)ccc1F.CC(F)(F)c1nc2cnc(-c3ccc(F)c(C4CCC4)c3)cn2c1-c1ccc2[nH]ncc2c1F
InChIInChI=1S/C25H19F4N5.C25H21F2N5.C24H19F4N5O.C24H15F4N5O.C24H20F3N3O/c1-25(28,29)24-23(15-6-8-19-17(22(15)27)10-31-33-19)34-12-20(30-11-21(34)32-24)14-5-7-18(26)16(9-14)13-3-2-4-13;1-13(2)17-9-15(5-7-19(17)26)21-12-32-22(11-28-21)30-24(14-3-4-14)25(32)16-6-8-20-18(23(16)27)10-29-31-20;1-12(2)34-19-8-13(4-6-16(19)25)18-11-33-20(10-29-18)31-23(24(3,27)28)22(33)14-5-7-17-15(21(14)26)9-30-32-17;1-3-8-34-19-9-13(4-6-16(19)25)18-12-33-20(11-29-18)31-23(24(2,27)28)22(33)14-5-7-17-15(21(14)26)10-30-32-17;1-12(2)16-7-14(5-6-17(16)25)20-11-30-21(10-28-20)29-23(13-3-4-13)24(30)22-18(26)8-15(31)9-19(22)27/h5-13H,2-4H2,1H3,(H,31,33);5-14H,3-4H2,1-2H3,(H,29,31);4-12H,1-3H3,(H,30,32);1,4-7,9-12H,8H2,2H3,(H,30,32);5-13,31H,3-4H2,1-2H3
InChIKeyMHOFCBCYIZGNGW-UHFFFAOYSA-N
MW2253.22 g/mol
LogP30.46
Rot. Bonds22

About 6-(3-cyclobutyl-4-fluorophenyl)-2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazine;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine;4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)imidazo[1,2-a]pyrazine

6-(3-cyclobutyl-4-fluorophenyl)-2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazine;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine;4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)imidazo[1,2-a]pyrazine (PubChem CID 159568876) has the molecular formula C122H94F17N23O3 and a molecular weight of 2253.22 g/mol. Its IUPAC name is 6-(3-cyclobutyl-4-fluorophenyl)-2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazine;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine;4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(3-cyclobutyl-4-fluorophenyl)-2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazine;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine;4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)imidazo[1,2-a]pyrazine
PubChem CID159568876
Molecular FormulaC122H94F17N23O3
Molecular Weight2253.22 g/mol
Exact Mass2251.76
IUPAC Name6-(3-cyclobutyl-4-fluorophenyl)-2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazine;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine;4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)imidazo[1,2-a]pyrazine
SMILESC#CCOc1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(C)(F)F)nc3cn2)ccc1F.CC(C)Oc1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(C)(F)F)nc3cn2)ccc1F.CC(C)c1cc(-c2cn3c(-c4c(F)cc(O)cc4F)c(C4CC4)nc3cn2)ccc1F.CC(C)c1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C4CC4)nc3cn2)ccc1F.CC(F)(F)c1nc2cnc(-c3ccc(F)c(C4CCC4)c3)cn2c1-c1ccc2[nH]ncc2c1F
InChIInChI=1S/C25H19F4N5.C25H21F2N5.C24H19F4N5O.C24H15F4N5O.C24H20F3N3O/c1-25(28,29)24-23(15-6-8-19-17(22(15)27)10-31-33-19)34-12-20(30-11-21(34)32-24)14-5-7-18(26)16(9-14)13-3-2-4-13;1-13(2)17-9-15(5-7-19(17)26)21-12-32-22(11-28-21)30-24(14-3-4-14)25(32)16-6-8-20-18(23(16)27)10-29-31-20;1-12(2)34-19-8-13(4-6-16(19)25)18-11-33-20(10-29-18)31-23(24(3,27)28)22(33)14-5-7-17-15(21(14)26)9-30-32-17;1-3-8-34-19-9-13(4-6-16(19)25)18-12-33-20(11-29-18)31-23(24(2,27)28)22(33)14-5-7-17-15(21(14)26)10-30-32-17;1-12(2)16-7-14(5-6-17(16)25)20-11-30-21(10-28-20)29-23(13-3-4-13)24(30)22-18(26)8-15(31)9-19(22)27/h5-13H,2-4H2,1H3,(H,31,33);5-14H,3-4H2,1-2H3,(H,29,31);4-12H,1-3H3,(H,30,32);1,4-7,9-12H,8H2,2H3,(H,30,32);5-13,31H,3-4H2,1-2H3
InChIKeyMHOFCBCYIZGNGW-UHFFFAOYSA-N
XLogP30.46
TPSA304.36 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002253.22
LogP ≤ 530.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 6-(3-cyclobutyl-4-fluorophenyl)-2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazine;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine;4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)imidazo[1,2-a]pyrazine with MolForge

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Related Compounds

2,2-difluoro-1-(4-fluorophenyl)-1-[2-[4-[6-[2-[4-[4-[5-[1-(4-fluorophenyl)-1-hydroxyethyl]pyrimidin-2-yl]piperazin-1-yl]-6-[4-[4-[4-[5-[1-(4-fluorophenyl)-1-hydroxyethyl]pyrimidin-2-yl]piperazin-1-yl]-6-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-3-ium-3-yl]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1H-pyrazol-2-ium-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 123709459
2-[4-amino-1-[2-[4-[[2-[4-amino-1-[1-[[2-[4-amino-1-[1-[[2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-6-fluoro-1H-indol-5-yl]oxy]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluoro-1H-indol-5-yl]oxy]propan-2-yl]pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-5-yl]oxy]-2-methylimidazol-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol
CID 123808231
5-[1-[1-[2-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenoxy]ethyl]pyrrolidin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137087338
6-[4-(1-Cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)imidazo[1,5-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;7-(1,1-difluoroethyl)-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine-5-carbonitrile;3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(3-fluoro-3-methylcyclobutyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine
CID 157183479
CID 157523316
CID 157523316
3-Cyclopropyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 157527595
3-(1,1-Difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-5-[4-(2-methoxypropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-5-[3-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine;2-methyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 157875143
6-[4-(1-Cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)imidazo[1,5-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;7-(1,1-difluoroethyl)-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine-5-carbonitrile;6-(3-fluoro-3-methylcyclobutyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;3-(2-fluoro-2-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine
CID 157958816
CID 158045216
CID 158045216
3-(1,5-dimethylpyrazol-4-yl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;3-(3,5-dimethyl-1H-pyrazol-4-yl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;3-phenyl-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;3-phenyl-7-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 158155599
5-[2-(cyclopropylmethyl)-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium-3-yl]-2-methoxyphenol;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazine;3-fluoro-5-methyl-4-[2-methyl-6-[3-(pentafluoro-lambda6-sulfanyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol;6-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-methoxy-3-methylphenyl)-2-propan-2-ylimidazo[1,2-a]pyrazine;3-(4-methoxy-3-methylphenyl)-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine;[2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid
CID 158320541
CID 158439161
CID 158439161

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclobutyl-4-fluorophenyl)-2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazine;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine;4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(3-cyclobutyl-4-fluorophenyl)-2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazine;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine;4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)imidazo[1,2-a]pyrazine (CID 159568876) is 6-(3-cyclobutyl-4-fluorophenyl)-2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazine;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine;4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(3-cyclobutyl-4-fluorophenyl)-2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazine;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine;4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(3-cyclobutyl-4-fluorophenyl)-2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazine;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine;4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)imidazo[1,2-a]pyrazine is C#CCOc1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(C)(F)F)nc3cn2)ccc1F.CC(C)Oc1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(C)(F)F)nc3cn2)ccc1F.CC(C)c1cc(-c2cn3c(-c4c(F)cc(O)cc4F)c(C4CC4)nc3cn2)ccc1F.CC(C)c1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C4CC4)nc3cn2)ccc1F.CC(F)(F)c1nc2cnc(-c3ccc(F)c(C4CCC4)c3)cn2c1-c1ccc2[nH]ncc2c1F.
What is the InChIKey of 6-(3-cyclobutyl-4-fluorophenyl)-2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazine;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine;4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)imidazo[1,2-a]pyrazine?
The InChIKey is MHOFCBCYIZGNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4N5.C25H21F2N5.C24H19F4N5O.C24H15F4N5O.C24H20F3N3O/c1-25(28,29)24-23(15-6-8-19-17(22(15)27)10-31-33-19)34-12-20(30-11-21(34)32-24)14-5-7-18(26)16(9-14)13-3-2-4-13;1-13(2)17-9-15(5-7-19(17)26)21-12-32-22(11-28-21)30-24(14-3-4-14)25(32)16-6-8-20-18(23(16)27)10-29-31-20;1-12(2)34-19-8-13(4-6-16(19)25)18-11-33-20(10-29-18)31-23(24(3,27)28)22(33)14-5-7-17-15(21(14)26)9-30-32-17;1-3-8-34-19-9-13(4-6-16(19)25)18-12-33-20(11-29-18)31-23(24(2,27)28)22(33)14-5-7-17-15(21(14)26)10-30-32-17;1-12(2)16-7-14(5-6-17(16)25)20-11-30-21(10-28-20)29-23(13-3-4-13)24(30)22-18(26)8-15(31)9-19(22)27/h5-13H,2-4H2,1H3,(H,31,33);5-14H,3-4H2,1-2H3,(H,29,31);4-12H,1-3H3,(H,30,32);1,4-7,9-12H,8H2,2H3,(H,30,32);5-13,31H,3-4H2,1-2H3.
What are the key properties of 6-(3-cyclobutyl-4-fluorophenyl)-2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazine;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine;4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)imidazo[1,2-a]pyrazine?
6-(3-cyclobutyl-4-fluorophenyl)-2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazine;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine;4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)imidazo[1,2-a]pyrazine has a molecular weight of 2253.22 g/mol, XLogP of 30.46, 22 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclobutyl-4-fluorophenyl)-2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazine;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine;4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 159568876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).