(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[2-[(3S,4R)-3,4-dihydroxycyclopentyl]ethyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

C30H35Cl2F2N3O4 — CID 25002606

About (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[2-[(3S,4R)-3,4-dihydroxycyclopentyl]ethyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[2-[(3S,4R)-3,4-dihydroxycyclopentyl]ethyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 25002606) has the molecular formula C30H35Cl2F2N3O4 and a molecular weight of 610.53 g/mol. Its IUPAC name is (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[2-[(3S,4R)-3,4-dihydroxycyclopentyl]ethyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

• Compound Name: (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[2-[(3S,4R)-3,4-dihydroxycyclopentyl]ethyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
• PubChem CID: 25002606
• Molecular Formula: C30H35Cl2F2N3O4
• Molecular Weight: 610.53 g/mol
• Exact Mass: 609.20
• IUPAC Name: (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[2-[(3S,4R)-3,4-dihydroxycyclopentyl]ethyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
• SMILES: CC(C)(C)C[C@H]1N[C@@H](C(=O)NCCC2C[C@@H](O)[C@@H](O)C2)[C@H](c2ccc(F)c(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12
• InChI: InChI=1S/C30H35Cl2F2N3O4/c1-29(2,3)13-24-30(16-11-20(34)18(32)12-21(16)36-28(30)41)25(15-4-5-19(33)17(31)10-15)26(37-24)27(40)35-7-6-14-8-22(38)23(39)9-14/h4-5,10-12,14,22-26,37-39H,6-9,13H2,1-3H3,(H,35,40)(H,36,41)/t14?,22-,23+,24-,25+,26-,30+/m1/s1
• InChIKey: VGPQVTAKOMBOTF-JNBAAQPMSA-N
• XLogP: 4.66
• TPSA: 110.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.53
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[2-[(3S,4R)-3,4-dihydroxycyclopentyl]ethyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?

The IUPAC name of (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[2-[(3S,4R)-3,4-dihydroxycyclopentyl]ethyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (CID 25002606) is (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[2-[(3S,4R)-3,4-dihydroxycyclopentyl]ethyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

What is the SMILES notation for (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[2-[(3S,4R)-3,4-dihydroxycyclopentyl]ethyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?

The canonical SMILES for (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[2-[(3S,4R)-3,4-dihydroxycyclopentyl]ethyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is CC(C)(C)C[C@H]1N[C@@H](C(=O)NCCC2C[C@@H](O)[C@@H](O)C2)[C@H](c2ccc(F)c(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12.

What is the InChIKey of (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[2-[(3S,4R)-3,4-dihydroxycyclopentyl]ethyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?

The InChIKey is VGPQVTAKOMBOTF-JNBAAQPMSA-N. The full InChI is InChI=1S/C30H35Cl2F2N3O4/c1-29(2,3)13-24-30(16-11-20(34)18(32)12-21(16)36-28(30)41)25(15-4-5-19(33)17(31)10-15)26(37-24)27(40)35-7-6-14-8-22(38)23(39)9-14/h4-5,10-12,14,22-26,37-39H,6-9,13H2,1-3H3,(H,35,40)(H,36,41)/t14?,22-,23+,24-,25+,26-,30+/m1/s1.

What are the key properties of (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[2-[(3S,4R)-3,4-dihydroxycyclopentyl]ethyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?

(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[2-[(3S,4R)-3,4-dihydroxycyclopentyl]ethyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 610.53 g/mol, XLogP of 4.66, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[2-[(3S,4R)-3,4-dihydroxycyclopentyl]ethyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 25002606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).