1-[4-methyl-2-(3-pyridin-2-ylphenyl)pentanoyl]-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-6-one

C30H32N4O3 — CID 68888047

About 1-[4-methyl-2-(3-pyridin-2-ylphenyl)pentanoyl]-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-6-one

1-[4-methyl-2-(3-pyridin-2-ylphenyl)pentanoyl]-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-6-one (PubChem CID 68888047) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 1-[4-methyl-2-(3-pyridin-2-ylphenyl)pentanoyl]-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-6-one.

Molecular Properties

• Compound Name: 1-[4-methyl-2-(3-pyridin-2-ylphenyl)pentanoyl]-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-6-one
• PubChem CID: 68888047
• Molecular Formula: C30H32N4O3
• Molecular Weight: 496.61 g/mol
• Exact Mass: 496.25
• IUPAC Name: 1-[4-methyl-2-(3-pyridin-2-ylphenyl)pentanoyl]-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-6-one
• SMILES: CC(C)CC(C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1)c1cccc(-c2ccccn2)c1
• InChI: InChI=1S/C30H32N4O3/c1-20(2)15-24(22-8-5-9-23(17-22)25-10-3-4-13-32-25)30(37)33-14-11-26-29(33)27(35)19-34(26)28(36)16-21-7-6-12-31-18-21/h3-10,12-13,17-18,20,24,26,29H,11,14-16,19H2,1-2H3
• InChIKey: DGYRUIOQAPFZFT-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 83.47 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.61
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(3-pyridin-2-ylphenyl)pentanoyl]-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-6-one?

The IUPAC name of 1-[4-methyl-2-(3-pyridin-2-ylphenyl)pentanoyl]-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-6-one (CID 68888047) is 1-[4-methyl-2-(3-pyridin-2-ylphenyl)pentanoyl]-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-6-one.

What is the SMILES notation for 1-[4-methyl-2-(3-pyridin-2-ylphenyl)pentanoyl]-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-6-one?

The canonical SMILES for 1-[4-methyl-2-(3-pyridin-2-ylphenyl)pentanoyl]-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-6-one is CC(C)CC(C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1)c1cccc(-c2ccccn2)c1.

What is the InChIKey of 1-[4-methyl-2-(3-pyridin-2-ylphenyl)pentanoyl]-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-6-one?

The InChIKey is DGYRUIOQAPFZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-20(2)15-24(22-8-5-9-23(17-22)25-10-3-4-13-32-25)30(37)33-14-11-26-29(33)27(35)19-34(26)28(36)16-21-7-6-12-31-18-21/h3-10,12-13,17-18,20,24,26,29H,11,14-16,19H2,1-2H3.

What are the key properties of 1-[4-methyl-2-(3-pyridin-2-ylphenyl)pentanoyl]-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-6-one?

1-[4-methyl-2-(3-pyridin-2-ylphenyl)pentanoyl]-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-6-one has a molecular weight of 496.61 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-methyl-2-(3-pyridin-2-ylphenyl)pentanoyl]-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-6-one is sourced from PubChem (CID 68888047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).