2,6-difluoro-3-[4-fluoro-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-methoxy-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethyl-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-4-amine;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;pentakis(platinum(2+))

C121H80F26N26OPt5 — CID 158557944

About 2,6-difluoro-3-[4-fluoro-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-methoxy-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethyl-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-4-amine;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;pentakis(platinum(2+))

2,6-difluoro-3-[4-fluoro-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-methoxy-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethyl-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-4-amine;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;pentakis(platinum(2+)) (PubChem CID 158557944) has the molecular formula C121H80F26N26OPt5 and a molecular weight of 3383.49 g/mol. Its IUPAC name is 2,6-difluoro-3-[4-fluoro-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-methoxy-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethyl-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-4-amine;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;pentakis(platinum(2+)).

Molecular Properties

• Compound Name: 2,6-difluoro-3-[4-fluoro-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-methoxy-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethyl-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-4-amine;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;pentakis(platinum(2+))
• PubChem CID: 158557944
• Molecular Formula: C121H80F26N26OPt5
• Molecular Weight: 3383.49 g/mol
• Exact Mass: 3381.48
• IUPAC Name: 2,6-difluoro-3-[4-fluoro-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-methoxy-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethyl-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-4-amine;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;pentakis(platinum(2+))
• SMILES: CC(C)(c1cc(F)cc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cc2ccccc2c(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1nc(-n2[c-]cc(C(F)(F)F)n2)cc2ccccc12.CN(C)c1cc(-c2[c-]cc(F)nc2F)nc(C(C)(C)c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)c1.COc1cc(-c2[c-]cc(F)nc2F)nc(C(C)(C)c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/2C26H16F5N5.C24H19F5N6.C23H16F5N5O.C22H13F6N5.5Pt/c1-25(2,19-9-5-8-18(32-19)17-10-11-22(27)34-23(17)28)21-14-15-6-3-4-7-16(15)24(33-21)36-13-12-20(35-36)26(29,30)31;1-25(2,19-9-5-8-18(32-19)17-10-11-21(27)33-24(17)28)23-16-7-4-3-6-15(16)14-22(34-23)36-13-12-20(35-36)26(29,30)31;1-23(2,17-6-5-7-21(31-17)35-11-10-18(33-35)24(27,28)29)19-13-14(34(3)4)12-16(30-19)15-8-9-20(25)32-22(15)26;1-22(2,16-5-4-6-20(30-16)33-10-9-17(32-33)23(26,27)28)18-12-13(34-3)11-15(29-18)14-7-8-19(24)31-21(14)25;1-21(2,15-4-3-5-19(30-15)33-9-8-16(32-33)22(26,27)28)17-11-12(23)10-14(29-17)13-6-7-18(24)31-20(13)25;;;;;/h2*3-9,11-12,14H,1-2H3;5-7,9-10,12-13H,1-4H3;4-6,8-9,11-12H,1-3H3;3-5,7-8,10-11H,1-2H3;;;;;/q5*-2;5*+2
• InChIKey: LZWOPPFFNJDSNR-UHFFFAOYSA-N
• XLogP: 27.25
• TPSA: 294.92 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3383.49
LogP ≤ 5	27.25
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 2,6-difluoro-3-[4-fluoro-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-methoxy-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethyl-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-4-amine;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;pentakis(platinum(2+))?

The IUPAC name of 2,6-difluoro-3-[4-fluoro-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-methoxy-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethyl-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-4-amine;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;pentakis(platinum(2+)) (CID 158557944) is 2,6-difluoro-3-[4-fluoro-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-methoxy-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethyl-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-4-amine;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;pentakis(platinum(2+)).

What is the SMILES notation for 2,6-difluoro-3-[4-fluoro-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-methoxy-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethyl-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-4-amine;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;pentakis(platinum(2+))?

The canonical SMILES for 2,6-difluoro-3-[4-fluoro-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-methoxy-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethyl-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-4-amine;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;pentakis(platinum(2+)) is CC(C)(c1cc(F)cc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cc2ccccc2c(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1nc(-n2[c-]cc(C(F)(F)F)n2)cc2ccccc12.CN(C)c1cc(-c2[c-]cc(F)nc2F)nc(C(C)(C)c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)c1.COc1cc(-c2[c-]cc(F)nc2F)nc(C(C)(C)c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of 2,6-difluoro-3-[4-fluoro-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-methoxy-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethyl-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-4-amine;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;pentakis(platinum(2+))?

The InChIKey is LZWOPPFFNJDSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H16F5N5.C24H19F5N6.C23H16F5N5O.C22H13F6N5.5Pt/c1-25(2,19-9-5-8-18(32-19)17-10-11-22(27)34-23(17)28)21-14-15-6-3-4-7-16(15)24(33-21)36-13-12-20(35-36)26(29,30)31;1-25(2,19-9-5-8-18(32-19)17-10-11-21(27)33-24(17)28)23-16-7-4-3-6-15(16)14-22(34-23)36-13-12-20(35-36)26(29,30)31;1-23(2,17-6-5-7-21(31-17)35-11-10-18(33-35)24(27,28)29)19-13-14(34(3)4)12-16(30-19)15-8-9-20(25)32-22(15)26;1-22(2,16-5-4-6-20(30-16)33-10-9-17(32-33)23(26,27)28)18-12-13(34-3)11-15(29-18)14-7-8-19(24)31-21(14)25;1-21(2,15-4-3-5-19(30-15)33-9-8-16(32-33)22(26,27)28)17-11-12(23)10-14(29-17)13-6-7-18(24)31-20(13)25;;;;;/h2*3-9,11-12,14H,1-2H3;5-7,9-10,12-13H,1-4H3;4-6,8-9,11-12H,1-3H3;3-5,7-8,10-11H,1-2H3;;;;;/q5*-2;5*+2.

What are the key properties of 2,6-difluoro-3-[4-fluoro-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-methoxy-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethyl-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-4-amine;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;pentakis(platinum(2+))?

2,6-difluoro-3-[4-fluoro-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-methoxy-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethyl-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-4-amine;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;pentakis(platinum(2+)) has a molecular weight of 3383.49 g/mol, XLogP of 27.25, 22 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-3-[4-fluoro-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-methoxy-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethyl-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-4-amine;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;pentakis(platinum(2+)) is sourced from PubChem (CID 158557944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).