butyl (8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate

C43H52F2N4O7Si — CID 86650291

IUPACbutyl (8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate
SMILESCCCCOC(=O)N1C[C@@](C)(c2cc(F)cc(F)c2)N(CC(=O)Oc2ccc3c(c2)C[C@@]2(C3)C(=O)N(COCC[Si](C)(C)C)c3ncccc32)C(=O)C12CCCC2
InChIInChI=1S/C43H52F2N4O7Si/c1-6-7-17-55-40(53)49-27-41(2,31-21-32(44)23-33(45)22-31)48(39(52)43(49)14-8-9-15-43)26-36(50)56-34-13-12-29-24-42(25-30(29)20-34)35-11-10-16-46-37(35)47(38(42)51)28-54-18-19-57(3,4)5/h10-13,16,20-23H,6-9,14-15,17-19,24-28H2,1-5H3/t41-,42+/m0/s1
InChIKeySSBBCDQNYSJCHY-ACEXITHZSA-N
MW802.99 g/mol
LogP7.27
Rot. Bonds12

About butyl (8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate

butyl (8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate (PubChem CID 86650291) has the molecular formula C43H52F2N4O7Si and a molecular weight of 802.99 g/mol. Its IUPAC name is butyl (8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate.

Molecular Properties

Compound Namebutyl (8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate
PubChem CID86650291
Molecular FormulaC43H52F2N4O7Si
Molecular Weight802.99 g/mol
Exact Mass802.36
IUPAC Namebutyl (8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate
SMILESCCCCOC(=O)N1C[C@@](C)(c2cc(F)cc(F)c2)N(CC(=O)Oc2ccc3c(c2)C[C@@]2(C3)C(=O)N(COCC[Si](C)(C)C)c3ncccc32)C(=O)C12CCCC2
InChIInChI=1S/C43H52F2N4O7Si/c1-6-7-17-55-40(53)49-27-41(2,31-21-32(44)23-33(45)22-31)48(39(52)43(49)14-8-9-15-43)26-36(50)56-34-13-12-29-24-42(25-30(29)20-34)35-11-10-16-46-37(35)47(38(42)51)28-54-18-19-57(3,4)5/h10-13,16,20-23H,6-9,14-15,17-19,24-28H2,1-5H3/t41-,42+/m0/s1
InChIKeySSBBCDQNYSJCHY-ACEXITHZSA-N
XLogP7.27
TPSA118.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.99
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze butyl (8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of butyl (8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate?
The IUPAC name of butyl (8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate (CID 86650291) is butyl (8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate.
What is the SMILES notation for butyl (8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate?
The canonical SMILES for butyl (8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate is CCCCOC(=O)N1C[C@@](C)(c2cc(F)cc(F)c2)N(CC(=O)Oc2ccc3c(c2)C[C@@]2(C3)C(=O)N(COCC[Si](C)(C)C)c3ncccc32)C(=O)C12CCCC2.
What is the InChIKey of butyl (8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate?
The InChIKey is SSBBCDQNYSJCHY-ACEXITHZSA-N. The full InChI is InChI=1S/C43H52F2N4O7Si/c1-6-7-17-55-40(53)49-27-41(2,31-21-32(44)23-33(45)22-31)48(39(52)43(49)14-8-9-15-43)26-36(50)56-34-13-12-29-24-42(25-30(29)20-34)35-11-10-16-46-37(35)47(38(42)51)28-54-18-19-57(3,4)5/h10-13,16,20-23H,6-9,14-15,17-19,24-28H2,1-5H3/t41-,42+/m0/s1.
What are the key properties of butyl (8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate?
butyl (8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate has a molecular weight of 802.99 g/mol, XLogP of 7.27, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-9-[2-oxo-2-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]oxyethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate is sourced from PubChem (CID 86650291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).