[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl] 2-[(8R)-8-[4-[(8R)-8-(3,5-difluorophenyl)-6,8-dimethyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decan-3-yl]-3,5-difluorophenyl]-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate

C65H60F4N8O8 — CID 143869624

About [(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl] 2-[(8R)-8-[4-[(8R)-8-(3,5-difluorophenyl)-6,8-dimethyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decan-3-yl]-3,5-difluorophenyl]-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate

[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl] 2-[(8R)-8-[4-[(8R)-8-(3,5-difluorophenyl)-6,8-dimethyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decan-3-yl]-3,5-difluorophenyl]-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate (PubChem CID 143869624) has the molecular formula C65H60F4N8O8 and a molecular weight of 1157.23 g/mol. Its IUPAC name is [(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl] 2-[(8R)-8-[4-[(8R)-8-(3,5-difluorophenyl)-6,8-dimethyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decan-3-yl]-3,5-difluorophenyl]-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate.

Molecular Properties

• Compound Name: [(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl] 2-[(8R)-8-[4-[(8R)-8-(3,5-difluorophenyl)-6,8-dimethyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decan-3-yl]-3,5-difluorophenyl]-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate
• PubChem CID: 143869624
• Molecular Formula: C65H60F4N8O8
• Molecular Weight: 1157.23 g/mol
• Exact Mass: 1156.45
• IUPAC Name: [(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl] 2-[(8R)-8-[4-[(8R)-8-(3,5-difluorophenyl)-6,8-dimethyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decan-3-yl]-3,5-difluorophenyl]-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate
• SMILES: CN1C[C@@](C)(c2cc(F)cc(F)c2)N(CC(=O)Oc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C12CCC(c1c(F)cc([C@]3(C)CNC4(CCCC4)C(=O)N3CC(=O)Oc3ccc4c(c3)C[C@@]3(C4)C(=O)Nc4ncccc43)cc1F)C2
• InChI: InChI=1S/C65H60F4N8O8/c1-60(34-72-64(15-4-5-16-64)58(82)76(60)32-51(78)84-45-12-10-36-27-62(29-39(36)20-45)47-8-6-18-70-54(47)73-56(62)80)42-24-49(68)53(50(69)25-42)38-14-17-65(31-38)59(83)77(61(2,35-75(65)3)41-22-43(66)26-44(67)23-41)33-52(79)85-46-13-11-37-28-63(30-40(37)21-46)48-9-7-19-71-55(48)74-57(63)81/h6-13,18-26,38,72H,4-5,14-17,27-35H2,1-3H3,(H,70,73,80)(H,71,74,81)/t38?,60-,61-,62+,63+,65?/m0/s1
• InChIKey: JTRAWOFHJVLZRF-HJXSKMRTSA-N
• XLogP: 7.88
• TPSA: 192.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1157.23
LogP ≤ 5	7.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl] 2-[(8R)-8-[4-[(8R)-8-(3,5-difluorophenyl)-6,8-dimethyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decan-3-yl]-3,5-difluorophenyl]-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate?

The IUPAC name of [(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl] 2-[(8R)-8-[4-[(8R)-8-(3,5-difluorophenyl)-6,8-dimethyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decan-3-yl]-3,5-difluorophenyl]-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate (CID 143869624) is [(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl] 2-[(8R)-8-[4-[(8R)-8-(3,5-difluorophenyl)-6,8-dimethyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decan-3-yl]-3,5-difluorophenyl]-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate.

What is the SMILES notation for [(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl] 2-[(8R)-8-[4-[(8R)-8-(3,5-difluorophenyl)-6,8-dimethyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decan-3-yl]-3,5-difluorophenyl]-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate?

The canonical SMILES for [(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl] 2-[(8R)-8-[4-[(8R)-8-(3,5-difluorophenyl)-6,8-dimethyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decan-3-yl]-3,5-difluorophenyl]-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate is CN1C[C@@](C)(c2cc(F)cc(F)c2)N(CC(=O)Oc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C12CCC(c1c(F)cc([C@]3(C)CNC4(CCCC4)C(=O)N3CC(=O)Oc3ccc4c(c3)C[C@@]3(C4)C(=O)Nc4ncccc43)cc1F)C2.

What is the InChIKey of [(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl] 2-[(8R)-8-[4-[(8R)-8-(3,5-difluorophenyl)-6,8-dimethyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decan-3-yl]-3,5-difluorophenyl]-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate?

The InChIKey is JTRAWOFHJVLZRF-HJXSKMRTSA-N. The full InChI is InChI=1S/C65H60F4N8O8/c1-60(34-72-64(15-4-5-16-64)58(82)76(60)32-51(78)84-45-12-10-36-27-62(29-39(36)20-45)47-8-6-18-70-54(47)73-56(62)80)42-24-49(68)53(50(69)25-42)38-14-17-65(31-38)59(83)77(61(2,35-75(65)3)41-22-43(66)26-44(67)23-41)33-52(79)85-46-13-11-37-28-63(30-40(37)21-46)48-9-7-19-71-55(48)74-57(63)81/h6-13,18-26,38,72H,4-5,14-17,27-35H2,1-3H3,(H,70,73,80)(H,71,74,81)/t38?,60-,61-,62+,63+,65?/m0/s1.

What are the key properties of [(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl] 2-[(8R)-8-[4-[(8R)-8-(3,5-difluorophenyl)-6,8-dimethyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decan-3-yl]-3,5-difluorophenyl]-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate?

[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl] 2-[(8R)-8-[4-[(8R)-8-(3,5-difluorophenyl)-6,8-dimethyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decan-3-yl]-3,5-difluorophenyl]-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate has a molecular weight of 1157.23 g/mol, XLogP of 7.88, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl] 2-[(8R)-8-[4-[(8R)-8-(3,5-difluorophenyl)-6,8-dimethyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decan-3-yl]-3,5-difluorophenyl]-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate is sourced from PubChem (CID 143869624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).