1-cyclopentyl-2-[3-[2-[5-(4,6-dimethylpyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-phenylpyrrolidin-1-yl]ethanone

C32H43N5O2 — CID 24937667

About 1-cyclopentyl-2-[3-[2-[5-(4,6-dimethylpyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-phenylpyrrolidin-1-yl]ethanone

1-cyclopentyl-2-[3-[2-[5-(4,6-dimethylpyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-phenylpyrrolidin-1-yl]ethanone (PubChem CID 24937667) has the molecular formula C32H43N5O2 and a molecular weight of 529.73 g/mol. Its IUPAC name is 1-cyclopentyl-2-[3-[2-[5-(4,6-dimethylpyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-phenylpyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-cyclopentyl-2-[3-[2-[5-(4,6-dimethylpyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-phenylpyrrolidin-1-yl]ethanone
• PubChem CID: 24937667
• Molecular Formula: C32H43N5O2
• Molecular Weight: 529.73 g/mol
• Exact Mass: 529.34
• IUPAC Name: 1-cyclopentyl-2-[3-[2-[5-(4,6-dimethylpyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-phenylpyrrolidin-1-yl]ethanone
• SMILES: Cc1ncnc(C)c1C(=O)N1CC2CN(CCC3(c4ccccc4)CCN(CC(=O)C4CCCC4)C3)CC2C1
• InChI: InChI=1S/C32H43N5O2/c1-23-30(24(2)34-22-33-23)31(39)37-18-26-16-35(17-27(26)19-37)14-12-32(28-10-4-3-5-11-28)13-15-36(21-32)20-29(38)25-8-6-7-9-25/h3-5,10-11,22,25-27H,6-9,12-21H2,1-2H3
• InChIKey: FWJTYADZXMVWBW-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 69.64 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.73
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[3-[2-[5-(4,6-dimethylpyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-phenylpyrrolidin-1-yl]ethanone?

The IUPAC name of 1-cyclopentyl-2-[3-[2-[5-(4,6-dimethylpyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-phenylpyrrolidin-1-yl]ethanone (CID 24937667) is 1-cyclopentyl-2-[3-[2-[5-(4,6-dimethylpyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-phenylpyrrolidin-1-yl]ethanone.

What is the SMILES notation for 1-cyclopentyl-2-[3-[2-[5-(4,6-dimethylpyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-phenylpyrrolidin-1-yl]ethanone?

The canonical SMILES for 1-cyclopentyl-2-[3-[2-[5-(4,6-dimethylpyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-phenylpyrrolidin-1-yl]ethanone is Cc1ncnc(C)c1C(=O)N1CC2CN(CCC3(c4ccccc4)CCN(CC(=O)C4CCCC4)C3)CC2C1.

What is the InChIKey of 1-cyclopentyl-2-[3-[2-[5-(4,6-dimethylpyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-phenylpyrrolidin-1-yl]ethanone?

The InChIKey is FWJTYADZXMVWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N5O2/c1-23-30(24(2)34-22-33-23)31(39)37-18-26-16-35(17-27(26)19-37)14-12-32(28-10-4-3-5-11-28)13-15-36(21-32)20-29(38)25-8-6-7-9-25/h3-5,10-11,22,25-27H,6-9,12-21H2,1-2H3.

What are the key properties of 1-cyclopentyl-2-[3-[2-[5-(4,6-dimethylpyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-phenylpyrrolidin-1-yl]ethanone?

1-cyclopentyl-2-[3-[2-[5-(4,6-dimethylpyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-phenylpyrrolidin-1-yl]ethanone has a molecular weight of 529.73 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-2-[3-[2-[5-(4,6-dimethylpyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-phenylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 24937667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).