3,5-difluoro-4-[2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol;3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(4-methoxy-3-methylphenyl)-2-methyl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-(4-methoxy-3-methylphenyl)-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol

C138H115F21N22O6+2 — CID 159383634

IUPAC3,5-difluoro-4-[2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol;3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(4-methoxy-3-methylphenyl)-2-methyl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-(4-methoxy-3-methylphenyl)-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCC(C)c1nc2cnc(-c3cccc(C(F)(F)F)c3)cn2c1-c1ccc2[nH]ncc2c1F.CC(C)c1nn2cnc(-c3cccc(C(F)(F)F)c3)cc2c1-c1c(F)cc(O)cc1F.COc1cc(-c2c(C(C)C)nc3cnc(-c4cccc(C(F)(F)F)c4)cn23)cc2cn[nH]c12.COc1cc(O)ccc1-c1c(C(C)C)nc2cnc(-c3cccc(C(F)(F)F)c3)cn12.COc1ccc(C2=C(C(C)C)N=[N+]3C=NC(c4cccc(C(F)(F)F)c4)=CC23)cc1C.COc1ccc(C2=C(C)N=[N+]3C=NC(c4cccc(C(F)(F)F)c4)=CC23)cc1C
InChIInChI=1S/C24H20F3N5O.C24H23F3N3O.C23H17F4N5.C23H20F3N3O2.C22H16F5N3O.C22H19F3N3O/c1-13(2)21-23(15-7-16-10-29-31-22(16)19(9-15)33-3)32-12-18(28-11-20(32)30-21)14-5-4-6-17(8-14)24(25,26)27;1-14(2)23-22(17-8-9-21(31-4)15(3)10-17)20-12-19(28-13-30(20)29-23)16-6-5-7-18(11-16)24(25,26)27;1-12(2)21-22(15-6-7-17-16(20(15)24)9-29-31-17)32-11-18(28-10-19(32)30-21)13-4-3-5-14(8-13)23(25,26)27;1-13(2)21-22(17-8-7-16(30)10-19(17)31-3)29-12-18(27-11-20(29)28-21)14-5-4-6-15(9-14)23(24,25)26;1-11(2)21-20(19-15(23)7-14(31)8-16(19)24)18-9-17(28-10-30(18)29-21)12-4-3-5-13(6-12)22(25,26)27;1-13-9-16(7-8-20(13)29-3)21-14(2)27-28-12-26-18(11-19(21)28)15-5-4-6-17(10-15)22(23,24)25/h4-13H,1-3H3,(H,29,31);5-14,20H,1-4H3;3-12H,1-2H3,(H,29,31);4-13,30H,1-3H3;3-11,31H,1-2H3;4-12,19H,1-3H3/q;+1;;;;+1
InChIKeyFPLNYEVNQATVLB-UHFFFAOYSA-N
MW2576.54 g/mol
LogP36.42
Rot. Bonds21

About 3,5-difluoro-4-[2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol;3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(4-methoxy-3-methylphenyl)-2-methyl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-(4-methoxy-3-methylphenyl)-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol

3,5-difluoro-4-[2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol;3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(4-methoxy-3-methylphenyl)-2-methyl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-(4-methoxy-3-methylphenyl)-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 159383634) has the molecular formula C138H115F21N22O6+2 and a molecular weight of 2576.54 g/mol. Its IUPAC name is 3,5-difluoro-4-[2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol;3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(4-methoxy-3-methylphenyl)-2-methyl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-(4-methoxy-3-methylphenyl)-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name3,5-difluoro-4-[2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol;3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(4-methoxy-3-methylphenyl)-2-methyl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-(4-methoxy-3-methylphenyl)-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID159383634
Molecular FormulaC138H115F21N22O6+2
Molecular Weight2576.54 g/mol
Exact Mass2574.90
IUPAC Name3,5-difluoro-4-[2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol;3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(4-methoxy-3-methylphenyl)-2-methyl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-(4-methoxy-3-methylphenyl)-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCC(C)c1nc2cnc(-c3cccc(C(F)(F)F)c3)cn2c1-c1ccc2[nH]ncc2c1F.CC(C)c1nn2cnc(-c3cccc(C(F)(F)F)c3)cc2c1-c1c(F)cc(O)cc1F.COc1cc(-c2c(C(C)C)nc3cnc(-c4cccc(C(F)(F)F)c4)cn23)cc2cn[nH]c12.COc1cc(O)ccc1-c1c(C(C)C)nc2cnc(-c3cccc(C(F)(F)F)c3)cn12.COc1ccc(C2=C(C(C)C)N=[N+]3C=NC(c4cccc(C(F)(F)F)c4)=CC23)cc1C.COc1ccc(C2=C(C)N=[N+]3C=NC(c4cccc(C(F)(F)F)c4)=CC23)cc1C
InChIInChI=1S/C24H20F3N5O.C24H23F3N3O.C23H17F4N5.C23H20F3N3O2.C22H16F5N3O.C22H19F3N3O/c1-13(2)21-23(15-7-16-10-29-31-22(16)19(9-15)33-3)32-12-18(28-11-20(32)30-21)14-5-4-6-17(8-14)24(25,26)27;1-14(2)23-22(17-8-9-21(31-4)15(3)10-17)20-12-19(28-13-30(20)29-23)16-6-5-7-18(11-16)24(25,26)27;1-12(2)21-22(15-6-7-17-16(20(15)24)9-29-31-17)32-11-18(28-10-19(32)30-21)13-4-3-5-14(8-13)23(25,26)27;1-13(2)21-22(17-8-7-16(30)10-19(17)31-3)29-12-18(27-11-20(29)28-21)14-5-4-6-15(9-14)23(24,25)26;1-11(2)21-20(19-15(23)7-14(31)8-16(19)24)18-9-17(28-10-30(18)29-21)12-4-3-5-13(6-12)22(25,26)27;1-13-9-16(7-8-20(13)29-3)21-14(2)27-28-12-26-18(11-19(21)28)15-5-4-6-17(10-15)22(23,24)25/h4-13H,1-3H3,(H,29,31);5-14,20H,1-4H3;3-12H,1-2H3,(H,29,31);4-13,30H,1-3H3;3-11,31H,1-2H3;4-12,19H,1-3H3/q;+1;;;;+1
InChIKeyFPLNYEVNQATVLB-UHFFFAOYSA-N
XLogP36.42
TPSA310.96 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002576.54
LogP ≤ 536.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3,5-difluoro-4-[2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol;3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(4-methoxy-3-methylphenyl)-2-methyl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-(4-methoxy-3-methylphenyl)-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol 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
3-(1,1-Difluoroethyl)-6-[2-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-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)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
CID 157305654
CID 157477009
CID 157477009
CID 157523316
CID 157523316
5-[2-Methoxy-4-(trifluoromethoxy)phenyl]-3,6-dimethyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[4,3-b]pyridin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine
CID 157823492
7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methylpyrazolo[3,4-b]pyridine;7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;7-[1-(3-fluoro-5-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[1-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyrazolo[3,4-b]pyridine
CID 158335812
5-[1-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[5,5-difluoro-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole
CID 158898437
3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazine;3-fluoro-4-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol;[3-fluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid;3-(4-methoxy-3-methylphenyl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-methoxy-4-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 159024078
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
12-[3,5-dimethoxy-4-(piperidin-1-ylmethyl)phenyl]-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-[[4-[4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl]phenyl]methyl]morpholine;4-(1-methylpyrazol-4-yl)-12-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 160077284
[3-[2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-pentafluoro-lambda6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium-3-yl]-3,5-difluorophenol;3,5-difluoro-4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-3-yl]phenol;4-[2-ethyl-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;4-[2-ethyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 160542122

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol;3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(4-methoxy-3-methylphenyl)-2-methyl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-(4-methoxy-3-methylphenyl)-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 3,5-difluoro-4-[2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol;3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(4-methoxy-3-methylphenyl)-2-methyl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-(4-methoxy-3-methylphenyl)-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol (CID 159383634) is 3,5-difluoro-4-[2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol;3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(4-methoxy-3-methylphenyl)-2-methyl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-(4-methoxy-3-methylphenyl)-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 3,5-difluoro-4-[2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol;3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(4-methoxy-3-methylphenyl)-2-methyl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-(4-methoxy-3-methylphenyl)-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 3,5-difluoro-4-[2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol;3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(4-methoxy-3-methylphenyl)-2-methyl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-(4-methoxy-3-methylphenyl)-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol is CC(C)c1nc2cnc(-c3cccc(C(F)(F)F)c3)cn2c1-c1ccc2[nH]ncc2c1F.CC(C)c1nn2cnc(-c3cccc(C(F)(F)F)c3)cc2c1-c1c(F)cc(O)cc1F.COc1cc(-c2c(C(C)C)nc3cnc(-c4cccc(C(F)(F)F)c4)cn23)cc2cn[nH]c12.COc1cc(O)ccc1-c1c(C(C)C)nc2cnc(-c3cccc(C(F)(F)F)c3)cn12.COc1ccc(C2=C(C(C)C)N=[N+]3C=NC(c4cccc(C(F)(F)F)c4)=CC23)cc1C.COc1ccc(C2=C(C)N=[N+]3C=NC(c4cccc(C(F)(F)F)c4)=CC23)cc1C.
What is the InChIKey of 3,5-difluoro-4-[2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol;3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(4-methoxy-3-methylphenyl)-2-methyl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-(4-methoxy-3-methylphenyl)-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is FPLNYEVNQATVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O.C24H23F3N3O.C23H17F4N5.C23H20F3N3O2.C22H16F5N3O.C22H19F3N3O/c1-13(2)21-23(15-7-16-10-29-31-22(16)19(9-15)33-3)32-12-18(28-11-20(32)30-21)14-5-4-6-17(8-14)24(25,26)27;1-14(2)23-22(17-8-9-21(31-4)15(3)10-17)20-12-19(28-13-30(20)29-23)16-6-5-7-18(11-16)24(25,26)27;1-12(2)21-22(15-6-7-17-16(20(15)24)9-29-31-17)32-11-18(28-10-19(32)30-21)13-4-3-5-14(8-13)23(25,26)27;1-13(2)21-22(17-8-7-16(30)10-19(17)31-3)29-12-18(27-11-20(29)28-21)14-5-4-6-15(9-14)23(24,25)26;1-11(2)21-20(19-15(23)7-14(31)8-16(19)24)18-9-17(28-10-30(18)29-21)12-4-3-5-13(6-12)22(25,26)27;1-13-9-16(7-8-20(13)29-3)21-14(2)27-28-12-26-18(11-19(21)28)15-5-4-6-17(10-15)22(23,24)25/h4-13H,1-3H3,(H,29,31);5-14,20H,1-4H3;3-12H,1-2H3,(H,29,31);4-13,30H,1-3H3;3-11,31H,1-2H3;4-12,19H,1-3H3/q;+1;;;;+1.
What are the key properties of 3,5-difluoro-4-[2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol;3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(4-methoxy-3-methylphenyl)-2-methyl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-(4-methoxy-3-methylphenyl)-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
3,5-difluoro-4-[2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol;3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(4-methoxy-3-methylphenyl)-2-methyl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-(4-methoxy-3-methylphenyl)-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 2576.54 g/mol, XLogP of 36.42, 21 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol;3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;3-(4-methoxy-3-methylphenyl)-2-methyl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-(4-methoxy-3-methylphenyl)-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium;3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 159383634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).