2-[3-[4-[8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-1,9-diazaspiro[4.5]decan-2-yl]-3,5-difluorophenyl]-9-methyl-1-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

C64H60F4N10O6 — CID 143579409

IUPAC2-[3-[4-[8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-1,9-diazaspiro[4.5]decan-2-yl]-3,5-difluorophenyl]-9-methyl-1-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
SMILESCN1CCC2(CCC(c3cc(F)c(C4CCC5(CCC(c6cc(F)cc(F)c6)N(CC(=O)Nc6ccc7c(c6)CC6(C7)C(=O)Nc7ncccc76)C5=O)N4)c(F)c3)N(CC(=O)Nc3ccc4c(c3)CC3(C4)C(=O)Nc4ncccc43)C2=O)CC1
InChIInChI=1S/C64H60F4N10O6/c1-76-20-16-61(17-21-76)13-11-50(77(59(61)83)33-52(79)71-43-8-6-35-29-62(31-39(35)24-43)45-4-2-18-69-55(45)73-57(62)81)38-26-47(67)54(48(68)27-38)49-10-14-64(75-49)15-12-51(37-22-41(65)28-42(66)23-37)78(60(64)84)34-53(80)72-44-9-7-36-30-63(32-40(36)25-44)46-5-3-19-70-56(46)74-58(63)82/h2-9,18-19,22-28,49-51,75H,10-17,20-21,29-34H2,1H3,(H,71,79)(H,72,80)(H,69,73,81)(H,70,74,82)
InChIKeyOKOCOEFWZLVRJR-UHFFFAOYSA-N
MW1141.24 g/mol
LogP8.19
Rot. Bonds9

About 2-[3-[4-[8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-1,9-diazaspiro[4.5]decan-2-yl]-3,5-difluorophenyl]-9-methyl-1-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

2-[3-[4-[8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-1,9-diazaspiro[4.5]decan-2-yl]-3,5-difluorophenyl]-9-methyl-1-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide (PubChem CID 143579409) has the molecular formula C64H60F4N10O6 and a molecular weight of 1141.24 g/mol. Its IUPAC name is 2-[3-[4-[8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-1,9-diazaspiro[4.5]decan-2-yl]-3,5-difluorophenyl]-9-methyl-1-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide.

Molecular Properties

Compound Name2-[3-[4-[8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-1,9-diazaspiro[4.5]decan-2-yl]-3,5-difluorophenyl]-9-methyl-1-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
PubChem CID143579409
Molecular FormulaC64H60F4N10O6
Molecular Weight1141.24 g/mol
Exact Mass1140.46
IUPAC Name2-[3-[4-[8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-1,9-diazaspiro[4.5]decan-2-yl]-3,5-difluorophenyl]-9-methyl-1-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
SMILESCN1CCC2(CCC(c3cc(F)c(C4CCC5(CCC(c6cc(F)cc(F)c6)N(CC(=O)Nc6ccc7c(c6)CC6(C7)C(=O)Nc7ncccc76)C5=O)N4)c(F)c3)N(CC(=O)Nc3ccc4c(c3)CC3(C4)C(=O)Nc4ncccc43)C2=O)CC1
InChIInChI=1S/C64H60F4N10O6/c1-76-20-16-61(17-21-76)13-11-50(77(59(61)83)33-52(79)71-43-8-6-35-29-62(31-39(35)24-43)45-4-2-18-69-55(45)73-57(62)81)38-26-47(67)54(48(68)27-38)49-10-14-64(75-49)15-12-51(37-22-41(65)28-42(66)23-37)78(60(64)84)34-53(80)72-44-9-7-36-30-63(32-40(36)25-44)46-5-3-19-70-56(46)74-58(63)82/h2-9,18-19,22-28,49-51,75H,10-17,20-21,29-34H2,1H3,(H,71,79)(H,72,80)(H,69,73,81)(H,70,74,82)
InChIKeyOKOCOEFWZLVRJR-UHFFFAOYSA-N
XLogP8.19
TPSA198.07 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001141.24
LogP ≤ 58.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 2-[3-[4-[8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-1,9-diazaspiro[4.5]decan-2-yl]-3,5-difluorophenyl]-9-methyl-1-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-1,9-diazaspiro[4.5]decan-2-yl]-3,5-difluorophenyl]-9-methyl-1-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The IUPAC name of 2-[3-[4-[8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-1,9-diazaspiro[4.5]decan-2-yl]-3,5-difluorophenyl]-9-methyl-1-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide (CID 143579409) is 2-[3-[4-[8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-1,9-diazaspiro[4.5]decan-2-yl]-3,5-difluorophenyl]-9-methyl-1-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide.
What is the SMILES notation for 2-[3-[4-[8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-1,9-diazaspiro[4.5]decan-2-yl]-3,5-difluorophenyl]-9-methyl-1-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The canonical SMILES for 2-[3-[4-[8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-1,9-diazaspiro[4.5]decan-2-yl]-3,5-difluorophenyl]-9-methyl-1-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide is CN1CCC2(CCC(c3cc(F)c(C4CCC5(CCC(c6cc(F)cc(F)c6)N(CC(=O)Nc6ccc7c(c6)CC6(C7)C(=O)Nc7ncccc76)C5=O)N4)c(F)c3)N(CC(=O)Nc3ccc4c(c3)CC3(C4)C(=O)Nc4ncccc43)C2=O)CC1.
What is the InChIKey of 2-[3-[4-[8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-1,9-diazaspiro[4.5]decan-2-yl]-3,5-difluorophenyl]-9-methyl-1-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The InChIKey is OKOCOEFWZLVRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H60F4N10O6/c1-76-20-16-61(17-21-76)13-11-50(77(59(61)83)33-52(79)71-43-8-6-35-29-62(31-39(35)24-43)45-4-2-18-69-55(45)73-57(62)81)38-26-47(67)54(48(68)27-38)49-10-14-64(75-49)15-12-51(37-22-41(65)28-42(66)23-37)78(60(64)84)34-53(80)72-44-9-7-36-30-63(32-40(36)25-44)46-5-3-19-70-56(46)74-58(63)82/h2-9,18-19,22-28,49-51,75H,10-17,20-21,29-34H2,1H3,(H,71,79)(H,72,80)(H,69,73,81)(H,70,74,82).
What are the key properties of 2-[3-[4-[8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-1,9-diazaspiro[4.5]decan-2-yl]-3,5-difluorophenyl]-9-methyl-1-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
2-[3-[4-[8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-1,9-diazaspiro[4.5]decan-2-yl]-3,5-difluorophenyl]-9-methyl-1-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide has a molecular weight of 1141.24 g/mol, XLogP of 8.19, 9 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-1,9-diazaspiro[4.5]decan-2-yl]-3,5-difluorophenyl]-9-methyl-1-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide is sourced from PubChem (CID 143579409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).