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

C28H33F3N4O5 — CID 163861354

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

2-[4-methoxy-6-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (PubChem CID 163861354) has the molecular formula C28H33F3N4O5 and a molecular weight of 562.59 g/mol. Its IUPAC name is 2-[4-methoxy-6-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 2-[4-methoxy-6-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
• PubChem CID: 163861354
• Molecular Formula: C28H33F3N4O5
• Molecular Weight: 562.59 g/mol
• Exact Mass: 562.24
• IUPAC Name: 2-[4-methoxy-6-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
• SMILES: CCC(=O)C(CC1CCNC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cc(C(F)(F)F)cc2[nH]1
• InChI: InChI=1S/C28H33F3N4O5/c1-3-22(36)20(9-14-7-8-32-25(14)37)34-26(38)24-17-6-4-5-15(17)13-35(24)27(39)21-12-18-19(33-21)10-16(28(29,30)31)11-23(18)40-2/h10-12,14-15,17,20,24,33H,3-9,13H2,1-2H3,(H,32,37)(H,34,38)
• InChIKey: CPIGFSHBXSQTFT-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 120.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.59
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[4-methoxy-6-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (CID 163861354) is 2-[4-methoxy-6-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.

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

The canonical SMILES for 2-[4-methoxy-6-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is CCC(=O)C(CC1CCNC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cc(C(F)(F)F)cc2[nH]1.

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

The InChIKey is CPIGFSHBXSQTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F3N4O5/c1-3-22(36)20(9-14-7-8-32-25(14)37)34-26(38)24-17-6-4-5-15(17)13-35(24)27(39)21-12-18-19(33-21)10-16(28(29,30)31)11-23(18)40-2/h10-12,14-15,17,20,24,33H,3-9,13H2,1-2H3,(H,32,37)(H,34,38).

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

2-[4-methoxy-6-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 562.59 g/mol, XLogP of 3.43, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-methoxy-6-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 163861354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).