[2-(6-chloropyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone;[2-(6-phenylmethoxypyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone

C43H35ClF6N8O3 — CID 90004132

About [2-(6-chloropyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone;[2-(6-phenylmethoxypyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone

[2-(6-chloropyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone;[2-(6-phenylmethoxypyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 90004132) has the molecular formula C43H35ClF6N8O3 and a molecular weight of 861.25 g/mol. Its IUPAC name is [2-(6-chloropyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone;[2-(6-phenylmethoxypyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

• Compound Name: [2-(6-chloropyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone;[2-(6-phenylmethoxypyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone
• PubChem CID: 90004132
• Molecular Formula: C43H35ClF6N8O3
• Molecular Weight: 861.25 g/mol
• Exact Mass: 860.24
• IUPAC Name: [2-(6-chloropyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone;[2-(6-phenylmethoxypyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone
• SMILES: O=C(c1ccccc1C(F)(F)F)N1CC2=C(C1)CN(c1ccc(Cl)nn1)C2.O=C(c1ccccc1C(F)(F)F)N1CC2=C(C1)CN(c1ccc(OCc3ccccc3)nn1)C2
• InChI: InChI=1S/C25H21F3N4O2.C18H14ClF3N4O/c26-25(27,28)21-9-5-4-8-20(21)24(33)32-14-18-12-31(13-19(18)15-32)22-10-11-23(30-29-22)34-16-17-6-2-1-3-7-17;19-15-5-6-16(24-23-15)25-7-11-9-26(10-12(11)8-25)17(27)13-3-1-2-4-14(13)18(20,21)22/h1-11H,12-16H2;1-6H,7-10H2
• InChIKey: GIVNWTYXHQHHIU-UHFFFAOYSA-N
• XLogP: 7.77
• TPSA: 107.89 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	861.25
LogP ≤ 5	7.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(6-chloropyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone;[2-(6-phenylmethoxypyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone?

The IUPAC name of [2-(6-chloropyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone;[2-(6-phenylmethoxypyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 90004132) is [2-(6-chloropyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone;[2-(6-phenylmethoxypyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone.

What is the SMILES notation for [2-(6-chloropyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone;[2-(6-phenylmethoxypyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone?

The canonical SMILES for [2-(6-chloropyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone;[2-(6-phenylmethoxypyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)N1CC2=C(C1)CN(c1ccc(Cl)nn1)C2.O=C(c1ccccc1C(F)(F)F)N1CC2=C(C1)CN(c1ccc(OCc3ccccc3)nn1)C2.

What is the InChIKey of [2-(6-chloropyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone;[2-(6-phenylmethoxypyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone?

The InChIKey is GIVNWTYXHQHHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O2.C18H14ClF3N4O/c26-25(27,28)21-9-5-4-8-20(21)24(33)32-14-18-12-31(13-19(18)15-32)22-10-11-23(30-29-22)34-16-17-6-2-1-3-7-17;19-15-5-6-16(24-23-15)25-7-11-9-26(10-12(11)8-25)17(27)13-3-1-2-4-14(13)18(20,21)22/h1-11H,12-16H2;1-6H,7-10H2.

What are the key properties of [2-(6-chloropyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone;[2-(6-phenylmethoxypyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone?

[2-(6-chloropyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone;[2-(6-phenylmethoxypyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 861.25 g/mol, XLogP of 7.77, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(6-chloropyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone;[2-(6-phenylmethoxypyridazin-3-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 90004132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).