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-λ6-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

C138H108F32N20O9PS+ — CID 158320541

About 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-λ6-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

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-λ6-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 (PubChem CID 158320541) has the molecular formula C138H108F32N20O9PS+ and a molecular weight of 2861.49 g/mol. Its IUPAC name is 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-λ6-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.

Molecular Properties

• Compound Name: 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-λ6-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
• PubChem CID: 158320541
• Molecular Formula: C138H108F32N20O9PS+
• Molecular Weight: 2861.49 g/mol
• Exact Mass: 2859.76
• IUPAC Name: 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-λ6-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
• SMILES: CC(F)(F)c1nc2cnc(-c3cccc(C(F)(F)C(F)(F)F)c3)cn2c1-c1ccc2[nH]ncc2c1F.COc1ccc(-c2c(C(C)C)nc3cnc(-c4ccc(F)c(C(F)(F)F)c4)cn23)cc1C.COc1ccc(-c2c(C(C)C)nc3cnc(-c4cccc(C(F)(F)F)c4)cn23)cc1OP(C)(=O)O.COc1ccc(-c2c(C(F)(F)F)nc3cnc(-c4cccc(C(F)(F)C(F)(F)F)c4)cn23)cc1C.COc1ccc(C2=C(CC3CC3)N=[N+]3C=NC(c4cccc(C(F)(F)F)c4)=CC23)cc1O.Cc1cc(O)cc(F)c1-c1c(C)nc2cnc(-c3cccc(S(F)(F)(F)(F)F)c3)cn12
• InChI: InChI=1S/C24H21F4N3O.C24H23F3N3O4P.C24H20F3N3O2.C23H13F8N5.C23H15F8N3O.C20H15F6N3OS/c1-13(2)22-23(16-6-8-20(32-4)14(3)9-16)31-12-19(29-11-21(31)30-22)15-5-7-18(25)17(10-15)24(26,27)28;1-14(2)22-23(16-8-9-19(33-3)20(11-16)34-35(4,31)32)30-13-18(28-12-21(30)29-22)15-6-5-7-17(10-15)24(25,26)27;1-32-22-8-7-16(11-21(22)31)23-19(9-14-5-6-14)29-30-13-28-18(12-20(23)30)15-3-2-4-17(10-15)24(25,26)27;1-21(25,26)20-19(13-5-6-15-14(18(13)24)8-33-35-15)36-10-16(32-9-17(36)34-20)11-3-2-4-12(7-11)22(27,28)23(29,30)31;1-12-8-14(6-7-17(12)35-2)19-20(22(26,27)28)33-18-10-32-16(11-34(18)19)13-4-3-5-15(9-13)21(24,25)23(29,30)31;1-11-6-14(30)8-16(21)19(11)20-12(2)28-18-9-27-17(10-29(18)20)13-4-3-5-15(7-13)31(22,23,24,25)26/h5-13H,1-4H3;5-14H,1-4H3,(H,31,32);2-4,7-8,10-14,20H,5-6,9H2,1H3;2-10H,1H3,(H,33,35);3-11H,1-2H3;3-10,30H,1-2H3/p+1
• InChIKey: WDHOIRYSLSDXFH-UHFFFAOYSA-O
• XLogP: 40.01
• TPSA: 331.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2861.49
LogP ≤ 5	40.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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-λ6-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?

The IUPAC name of 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-λ6-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) is 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-λ6-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.

What is the SMILES notation for 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-λ6-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?

The canonical SMILES for 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-λ6-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 is CC(F)(F)c1nc2cnc(-c3cccc(C(F)(F)C(F)(F)F)c3)cn2c1-c1ccc2[nH]ncc2c1F.COc1ccc(-c2c(C(C)C)nc3cnc(-c4ccc(F)c(C(F)(F)F)c4)cn23)cc1C.COc1ccc(-c2c(C(C)C)nc3cnc(-c4cccc(C(F)(F)F)c4)cn23)cc1OP(C)(=O)O.COc1ccc(-c2c(C(F)(F)F)nc3cnc(-c4cccc(C(F)(F)C(F)(F)F)c4)cn23)cc1C.COc1ccc(C2=C(CC3CC3)N=[N+]3C=NC(c4cccc(C(F)(F)F)c4)=CC23)cc1O.Cc1cc(O)cc(F)c1-c1c(C)nc2cnc(-c3cccc(S(F)(F)(F)(F)F)c3)cn12.

What is the InChIKey of 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-λ6-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?

The InChIKey is WDHOIRYSLSDXFH-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H21F4N3O.C24H23F3N3O4P.C24H20F3N3O2.C23H13F8N5.C23H15F8N3O.C20H15F6N3OS/c1-13(2)22-23(16-6-8-20(32-4)14(3)9-16)31-12-19(29-11-21(31)30-22)15-5-7-18(25)17(10-15)24(26,27)28;1-14(2)22-23(16-8-9-19(33-3)20(11-16)34-35(4,31)32)30-13-18(28-12-21(30)29-22)15-6-5-7-17(10-15)24(25,26)27;1-32-22-8-7-16(11-21(22)31)23-19(9-14-5-6-14)29-30-13-28-18(12-20(23)30)15-3-2-4-17(10-15)24(25,26)27;1-21(25,26)20-19(13-5-6-15-14(18(13)24)8-33-35-15)36-10-16(32-9-17(36)34-20)11-3-2-4-12(7-11)22(27,28)23(29,30)31;1-12-8-14(6-7-17(12)35-2)19-20(22(26,27)28)33-18-10-32-16(11-34(18)19)13-4-3-5-15(9-13)21(24,25)23(29,30)31;1-11-6-14(30)8-16(21)19(11)20-12(2)28-18-9-27-17(10-29(18)20)13-4-3-5-15(7-13)31(22,23,24,25)26/h5-13H,1-4H3;5-14H,1-4H3,(H,31,32);2-4,7-8,10-14,20H,5-6,9H2,1H3;2-10H,1H3,(H,33,35);3-11H,1-2H3;3-10,30H,1-2H3/p+1.

What are the key properties of 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-λ6-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?

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-λ6-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 has a molecular weight of 2861.49 g/mol, XLogP of 40.01, 26 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 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-λ6-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 is sourced from PubChem (CID 158320541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).