N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-piperazin-1-ylbenzamide

C28H34ClN5O5 — CID 68889845

About N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-piperazin-1-ylbenzamide

N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-piperazin-1-ylbenzamide (PubChem CID 68889845) has the molecular formula C28H34ClN5O5 and a molecular weight of 556.06 g/mol. Its IUPAC name is N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-piperazin-1-ylbenzamide.

Molecular Properties

• Compound Name: N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-piperazin-1-ylbenzamide
• PubChem CID: 68889845
• Molecular Formula: C28H34ClN5O5
• Molecular Weight: 556.06 g/mol
• Exact Mass: 555.22
• IUPAC Name: N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-piperazin-1-ylbenzamide
• SMILES: CC(C)CC(NC(=O)c1ccc(N2CCNCC2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccc(Cl)o1
• InChI: InChI=1S/C28H34ClN5O5/c1-17(2)15-20(31-26(36)18-3-5-19(6-4-18)32-13-10-30-11-14-32)27(37)33-12-9-21-25(33)22(35)16-34(21)28(38)23-7-8-24(29)39-23/h3-8,17,20-21,25,30H,9-16H2,1-2H3,(H,31,36)
• InChIKey: FOAVURRTNHILAC-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 115.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.06
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-piperazin-1-ylbenzamide?

The IUPAC name of N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-piperazin-1-ylbenzamide (CID 68889845) is N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-piperazin-1-ylbenzamide.

What is the SMILES notation for N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-piperazin-1-ylbenzamide?

The canonical SMILES for N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-piperazin-1-ylbenzamide is CC(C)CC(NC(=O)c1ccc(N2CCNCC2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccc(Cl)o1.

What is the InChIKey of N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-piperazin-1-ylbenzamide?

The InChIKey is FOAVURRTNHILAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClN5O5/c1-17(2)15-20(31-26(36)18-3-5-19(6-4-18)32-13-10-30-11-14-32)27(37)33-12-9-21-25(33)22(35)16-34(21)28(38)23-7-8-24(29)39-23/h3-8,17,20-21,25,30H,9-16H2,1-2H3,(H,31,36).

What are the key properties of N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-piperazin-1-ylbenzamide?

N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-piperazin-1-ylbenzamide has a molecular weight of 556.06 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 68889845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).