2-chloro-6-[3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]quinoline;2-chloro-6-iodoquinoline;3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

C54H35Cl4F6IN8O2 — CID 161104928

About 2-chloro-6-[3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]quinoline;2-chloro-6-iodoquinoline;3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

2-chloro-6-[3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]quinoline;2-chloro-6-iodoquinoline;3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 161104928) has the molecular formula C54H35Cl4F6IN8O2 and a molecular weight of 1210.63 g/mol. Its IUPAC name is 2-chloro-6-[3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]quinoline;2-chloro-6-iodoquinoline;3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

• Compound Name: 2-chloro-6-[3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]quinoline;2-chloro-6-iodoquinoline;3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
• PubChem CID: 161104928
• Molecular Formula: C54H35Cl4F6IN8O2
• Molecular Weight: 1210.63 g/mol
• Exact Mass: 1208.06
• IUPAC Name: 2-chloro-6-[3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]quinoline;2-chloro-6-iodoquinoline;3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
• SMILES: Clc1ccc2cc(I)ccc2n1.FC(F)(F)Oc1ccccc1-n1nc2c(c1-c1ccc(Cl)cc1)CN(c1ccc3nc(Cl)ccc3c1)C2.FC(F)(F)Oc1ccccc1-n1nc2c(c1-c1ccc(Cl)cc1)CNC2
• InChI: InChI=1S/C27H17Cl2F3N4O.C18H13ClF3N3O.C9H5ClIN/c28-18-8-5-16(6-9-18)26-20-14-35(19-10-11-21-17(13-19)7-12-25(29)33-21)15-22(20)34-36(26)23-3-1-2-4-24(23)37-27(30,31)32;19-12-7-5-11(6-8-12)17-13-9-23-10-14(13)24-25(17)15-3-1-2-4-16(15)26-18(20,21)22;10-9-4-1-6-5-7(11)2-3-8(6)12-9/h1-13H,14-15H2;1-8,23H,9-10H2;1-5H
• InChIKey: UIXRDKGCRPEZQQ-UHFFFAOYSA-N
• XLogP: 16.00
• TPSA: 95.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1210.63
LogP ≤ 5	16.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]quinoline;2-chloro-6-iodoquinoline;3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?

The IUPAC name of 2-chloro-6-[3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]quinoline;2-chloro-6-iodoquinoline;3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (CID 161104928) is 2-chloro-6-[3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]quinoline;2-chloro-6-iodoquinoline;3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.

What is the SMILES notation for 2-chloro-6-[3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]quinoline;2-chloro-6-iodoquinoline;3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?

The canonical SMILES for 2-chloro-6-[3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]quinoline;2-chloro-6-iodoquinoline;3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is Clc1ccc2cc(I)ccc2n1.FC(F)(F)Oc1ccccc1-n1nc2c(c1-c1ccc(Cl)cc1)CN(c1ccc3nc(Cl)ccc3c1)C2.FC(F)(F)Oc1ccccc1-n1nc2c(c1-c1ccc(Cl)cc1)CNC2.

What is the InChIKey of 2-chloro-6-[3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]quinoline;2-chloro-6-iodoquinoline;3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?

The InChIKey is UIXRDKGCRPEZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17Cl2F3N4O.C18H13ClF3N3O.C9H5ClIN/c28-18-8-5-16(6-9-18)26-20-14-35(19-10-11-21-17(13-19)7-12-25(29)33-21)15-22(20)34-36(26)23-3-1-2-4-24(23)37-27(30,31)32;19-12-7-5-11(6-8-12)17-13-9-23-10-14(13)24-25(17)15-3-1-2-4-16(15)26-18(20,21)22;10-9-4-1-6-5-7(11)2-3-8(6)12-9/h1-13H,14-15H2;1-8,23H,9-10H2;1-5H.

What are the key properties of 2-chloro-6-[3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]quinoline;2-chloro-6-iodoquinoline;3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?

2-chloro-6-[3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]quinoline;2-chloro-6-iodoquinoline;3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 1210.63 g/mol, XLogP of 16.00, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-[3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]quinoline;2-chloro-6-iodoquinoline;3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 161104928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).