N-[1-(1H-imidazol-2-yl)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

C29H33N5O5 — CID 163761205

About N-[1-(1H-imidazol-2-yl)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

N-[1-(1H-imidazol-2-yl)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (PubChem CID 163761205) has the molecular formula C29H33N5O5 and a molecular weight of 531.61 g/mol. Its IUPAC name is N-[1-(1H-imidazol-2-yl)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(1H-imidazol-2-yl)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
• PubChem CID: 163761205
• Molecular Formula: C29H33N5O5
• Molecular Weight: 531.61 g/mol
• Exact Mass: 531.25
• IUPAC Name: N-[1-(1H-imidazol-2-yl)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
• SMILES: COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CC3CCCC3=O)C(=O)c3ncc[nH]3)cc12
• InChI: InChI=1S/C29H33N5O5/c1-39-24-10-4-8-20-19(24)14-22(32-20)29(38)34-15-17-6-2-7-18(17)25(34)28(37)33-21(13-16-5-3-9-23(16)35)26(36)27-30-11-12-31-27/h4,8,10-12,14,16-18,21,25,32H,2-3,5-7,9,13,15H2,1H3,(H,30,31)(H,33,37)
• InChIKey: WKSDHHZEHMWXON-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 137.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.61
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-2-yl)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?

The IUPAC name of N-[1-(1H-imidazol-2-yl)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (CID 163761205) is N-[1-(1H-imidazol-2-yl)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.

What is the SMILES notation for N-[1-(1H-imidazol-2-yl)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?

The canonical SMILES for N-[1-(1H-imidazol-2-yl)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CC3CCCC3=O)C(=O)c3ncc[nH]3)cc12.

What is the InChIKey of N-[1-(1H-imidazol-2-yl)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?

The InChIKey is WKSDHHZEHMWXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O5/c1-39-24-10-4-8-20-19(24)14-22(32-20)29(38)34-15-17-6-2-7-18(17)25(34)28(37)33-21(13-16-5-3-9-23(16)35)26(36)27-30-11-12-31-27/h4,8,10-12,14,16-18,21,25,32H,2-3,5-7,9,13,15H2,1H3,(H,30,31)(H,33,37).

What are the key properties of N-[1-(1H-imidazol-2-yl)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?

N-[1-(1H-imidazol-2-yl)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 531.61 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1H-imidazol-2-yl)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 163761205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).