1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;pentakis(platinum(2+))

C135H81F23N28Pt5 — CID 159381687

About 1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;pentakis(platinum(2+))

1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;pentakis(platinum(2+)) (PubChem CID 159381687) has the molecular formula C135H81F23N28Pt5 and a molecular weight of 3507.67 g/mol. Its IUPAC name is 1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;pentakis(platinum(2+)).

Molecular Properties

• Compound Name: 1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;pentakis(platinum(2+))
• PubChem CID: 159381687
• Molecular Formula: C135H81F23N28Pt5
• Molecular Weight: 3507.67 g/mol
• Exact Mass: 3505.51
• IUPAC Name: 1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;pentakis(platinum(2+))
• SMILES: CC(C)(c1cc2ccccc2c(-c2[c-]cc(F)nc2F)n1)c1cc2ccccc2c(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1)c1cc2ccccc2c(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1)c1nc(-c2[c-]cc(F)nc2F)cc2ccccc12.CC(C)(c1nc(-c2[c-]cc(F)nc2F)cc2ccccc12)c1nc(-n2[c-]cc(C(F)(F)F)n2)cc2ccccc12.[C-]#[N+]c1nc(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)[c-]nc1C#N.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/2C30H18F5N5.2C26H16F5N5.C23H13F3N8.5Pt/c1-29(2,26-19-9-5-3-7-17(19)15-22(36-26)21-11-12-24(31)37-28(21)32)27-20-10-6-4-8-18(20)16-25(38-27)40-14-13-23(39-40)30(33,34)35;1-29(2,23-15-17-7-3-5-9-19(17)26(36-23)21-11-12-25(31)38-27(21)32)24-16-18-8-4-6-10-20(18)28(37-24)40-14-13-22(39-40)30(33,34)35;1-25(2,19-8-5-9-22(33-19)36-13-12-20(35-36)26(29,30)31)23-16-7-4-3-6-15(16)14-18(32-23)17-10-11-21(27)34-24(17)28;1-25(2,18-8-5-9-22(32-18)36-13-12-19(35-36)26(29,30)31)20-14-15-6-3-4-7-16(15)23(33-20)17-10-11-21(27)34-24(17)28;1-22(2,18-8-5-9-20(32-18)34-11-10-19(33-34)23(24,25)26)17-7-4-6-14(30-17)16-13-29-15(12-27)21(28-3)31-16;;;;;/h2*3-10,12-13,15-16H,1-2H3;2*3-9,11-12,14H,1-2H3;4-10H,1-2H3;;;;;/q5*-2;5*+2
• InChIKey: VSFNBHLZDCKAIY-UHFFFAOYSA-N
• XLogP: 31.18
• TPSA: 323.49 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3507.67
LogP ≤ 5	31.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;pentakis(platinum(2+))?

The IUPAC name of 1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;pentakis(platinum(2+)) (CID 159381687) is 1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;pentakis(platinum(2+)).

What is the SMILES notation for 1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;pentakis(platinum(2+))?

The canonical SMILES for 1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;pentakis(platinum(2+)) is CC(C)(c1cc2ccccc2c(-c2[c-]cc(F)nc2F)n1)c1cc2ccccc2c(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1)c1cc2ccccc2c(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1)c1nc(-c2[c-]cc(F)nc2F)cc2ccccc12.CC(C)(c1nc(-c2[c-]cc(F)nc2F)cc2ccccc12)c1nc(-n2[c-]cc(C(F)(F)F)n2)cc2ccccc12.[C-]#[N+]c1nc(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)[c-]nc1C#N.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of 1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;pentakis(platinum(2+))?

The InChIKey is VSFNBHLZDCKAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H18F5N5.2C26H16F5N5.C23H13F3N8.5Pt/c1-29(2,26-19-9-5-3-7-17(19)15-22(36-26)21-11-12-24(31)37-28(21)32)27-20-10-6-4-8-18(20)16-25(38-27)40-14-13-23(39-40)30(33,34)35;1-29(2,23-15-17-7-3-5-9-19(17)26(36-23)21-11-12-25(31)38-27(21)32)24-16-18-8-4-6-10-20(18)28(37-24)40-14-13-22(39-40)30(33,34)35;1-25(2,19-8-5-9-22(33-19)36-13-12-20(35-36)26(29,30)31)23-16-7-4-3-6-15(16)14-18(32-23)17-10-11-21(27)34-24(17)28;1-25(2,18-8-5-9-22(32-18)36-13-12-19(35-36)26(29,30)31)20-14-15-6-3-4-7-16(15)23(33-20)17-10-11-21(27)34-24(17)28;1-22(2,18-8-5-9-20(32-18)34-11-10-19(33-34)23(24,25)26)17-7-4-6-14(30-17)16-13-29-15(12-27)21(28-3)31-16;;;;;/h2*3-10,12-13,15-16H,1-2H3;2*3-9,11-12,14H,1-2H3;4-10H,1-2H3;;;;;/q5*-2;5*+2.

What are the key properties of 1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;pentakis(platinum(2+))?

1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;pentakis(platinum(2+)) has a molecular weight of 3507.67 g/mol, XLogP of 31.18, 20 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;pentakis(platinum(2+)) is sourced from PubChem (CID 159381687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).