N-[3-[5-[3,5-dimethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-4-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]-2-methylpropanamide

C30H35F4N7O2 — CID 24743141

About N-[3-[5-[3,5-dimethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-4-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]-2-methylpropanamide

N-[3-[5-[3,5-dimethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-4-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]-2-methylpropanamide (PubChem CID 24743141) has the molecular formula C30H35F4N7O2 and a molecular weight of 601.65 g/mol. Its IUPAC name is N-[3-[5-[3,5-dimethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-4-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[3-[5-[3,5-dimethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-4-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]-2-methylpropanamide
• PubChem CID: 24743141
• Molecular Formula: C30H35F4N7O2
• Molecular Weight: 601.65 g/mol
• Exact Mass: 601.28
• IUPAC Name: N-[3-[5-[3,5-dimethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-4-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]-2-methylpropanamide
• SMILES: Cc1nn(-c2ccc(C(F)(F)F)nn2)c(C)c1C(=O)N1CC2CN(CCC(NC(=O)C(C)C)c3cccc(F)c3)CC2C1
• InChI: InChI=1S/C30H35F4N7O2/c1-17(2)28(42)35-24(20-6-5-7-23(31)12-20)10-11-39-13-21-15-40(16-22(21)14-39)29(43)27-18(3)38-41(19(27)4)26-9-8-25(36-37-26)30(32,33)34/h5-9,12,17,21-22,24H,10-11,13-16H2,1-4H3,(H,35,42)
• InChIKey: OFJYMFYPHLZTBM-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 96.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	601.65
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[3,5-dimethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-4-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]-2-methylpropanamide?

The IUPAC name of N-[3-[5-[3,5-dimethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-4-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]-2-methylpropanamide (CID 24743141) is N-[3-[5-[3,5-dimethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-4-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]-2-methylpropanamide.

What is the SMILES notation for N-[3-[5-[3,5-dimethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-4-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]-2-methylpropanamide?

The canonical SMILES for N-[3-[5-[3,5-dimethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-4-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]-2-methylpropanamide is Cc1nn(-c2ccc(C(F)(F)F)nn2)c(C)c1C(=O)N1CC2CN(CCC(NC(=O)C(C)C)c3cccc(F)c3)CC2C1.

What is the InChIKey of N-[3-[5-[3,5-dimethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-4-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]-2-methylpropanamide?

The InChIKey is OFJYMFYPHLZTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F4N7O2/c1-17(2)28(42)35-24(20-6-5-7-23(31)12-20)10-11-39-13-21-15-40(16-22(21)14-39)29(43)27-18(3)38-41(19(27)4)26-9-8-25(36-37-26)30(32,33)34/h5-9,12,17,21-22,24H,10-11,13-16H2,1-4H3,(H,35,42).

What are the key properties of N-[3-[5-[3,5-dimethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-4-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]-2-methylpropanamide?

N-[3-[5-[3,5-dimethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-4-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]-2-methylpropanamide has a molecular weight of 601.65 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[3,5-dimethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-4-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]-2-methylpropanamide is sourced from PubChem (CID 24743141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).