5-[[[2-[2-chloro-4-[[2-[5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazol-2-yl]-2-oxoethyl]amino]phenyl]-2-oxoethyl]amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

C₃₀H₃₂ClF₅N₈O₃ — CID 155119207

About 5-[[[2-[2-chloro-4-[[2-[5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazol-2-yl]-2-oxoethyl]amino]phenyl]-2-oxoethyl]amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

5-[[[2-[2-chloro-4-[[2-[5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazol-2-yl]-2-oxoethyl]amino]phenyl]-2-oxoethyl]amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 155119207) has the molecular formula C₃₀H₃₂ClF₅N₈O₃ and a molecular weight of 683.08 g/mol. Its IUPAC name is 5-[[[2-[2-chloro-4-[[2-[5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazol-2-yl]-2-oxoethyl]amino]phenyl]-2-oxoethyl]amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[[2-[2-chloro-4-[[2-[5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazol-2-yl]-2-oxoethyl]amino]phenyl]-2-oxoethyl]amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
• PubChem CID: 155119207
• Molecular Formula: C₃₀H₃₂ClF₅N₈O₃
• Molecular Weight: 683.08 g/mol
• Exact Mass: 682.22
• IUPAC Name: 5-[[[2-[2-chloro-4-[[2-[5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazol-2-yl]-2-oxoethyl]amino]phenyl]-2-oxoethyl]amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
• SMILES: Cn1c(-c2cn(C3CC3(F)F)nc2C(F)(F)F)cnc1C(=O)CNc1ccc(C(=O)CNCC2CC3CN(C(N)=O)CC3C2)c(Cl)c1
• InChI: InChI=1S/C30H32ClF5N8O3/c1-42-22(20-14-44(25-7-29(25,32)33)41-26(20)30(34,35)36)9-40-27(42)24(46)11-39-18-2-3-19(21(31)6-18)23(45)10-38-8-15-4-16-12-43(28(37)47)13-17(16)5-15/h2-3,6,9,14-17,25,38-39H,4-5,7-8,10-13H2,1H3,(H2,37,47)
• InChIKey: OPAJIGQIPRZPQL-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 140.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	683.08
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-[2-chloro-4-[[2-[5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazol-2-yl]-2-oxoethyl]amino]phenyl]-2-oxoethyl]amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?

The IUPAC name of 5-[[[2-[2-chloro-4-[[2-[5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazol-2-yl]-2-oxoethyl]amino]phenyl]-2-oxoethyl]amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 155119207) is 5-[[[2-[2-chloro-4-[[2-[5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazol-2-yl]-2-oxoethyl]amino]phenyl]-2-oxoethyl]amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

What is the SMILES notation for 5-[[[2-[2-chloro-4-[[2-[5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazol-2-yl]-2-oxoethyl]amino]phenyl]-2-oxoethyl]amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?

The canonical SMILES for 5-[[[2-[2-chloro-4-[[2-[5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazol-2-yl]-2-oxoethyl]amino]phenyl]-2-oxoethyl]amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is Cn1c(-c2cn(C3CC3(F)F)nc2C(F)(F)F)cnc1C(=O)CNc1ccc(C(=O)CNCC2CC3CN(C(N)=O)CC3C2)c(Cl)c1.

What is the InChIKey of 5-[[[2-[2-chloro-4-[[2-[5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazol-2-yl]-2-oxoethyl]amino]phenyl]-2-oxoethyl]amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?

The InChIKey is OPAJIGQIPRZPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClF5N8O3/c1-42-22(20-14-44(25-7-29(25,32)33)41-26(20)30(34,35)36)9-40-27(42)24(46)11-39-18-2-3-19(21(31)6-18)23(45)10-38-8-15-4-16-12-43(28(37)47)13-17(16)5-15/h2-3,6,9,14-17,25,38-39H,4-5,7-8,10-13H2,1H3,(H2,37,47).

What are the key properties of 5-[[[2-[2-chloro-4-[[2-[5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazol-2-yl]-2-oxoethyl]amino]phenyl]-2-oxoethyl]amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?

5-[[[2-[2-chloro-4-[[2-[5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazol-2-yl]-2-oxoethyl]amino]phenyl]-2-oxoethyl]amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 683.08 g/mol, XLogP of 4.64, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[[2-[2-chloro-4-[[2-[5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazol-2-yl]-2-oxoethyl]amino]phenyl]-2-oxoethyl]amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 155119207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155119207 — identifiers, structure, computed properties (public domain)

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