2-[(3R)-3-[(3aS,8bS)-5-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-7-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-2-oxo-1H-indol-3-yl]-N-methylacetamide

C44H42N8O5 — CID 129011144

IUPAC2-[(3R)-3-[(3aS,8bS)-5-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-7-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-2-oxo-1H-indol-3-yl]-N-methylacetamide
SMILESCNC(=O)C[C@@]1([C@@]23CC(=O)N(C)[C@@H]2Nc2c([C@]45CC(=O)N(C)[C@H]4Nc4ccccc45)cccc23)C(=O)Nc2c([C@]34CC(=O)N(C)[C@H]3Nc3ccccc34)cccc21
InChIInChI=1S/C44H42N8O5/c1-45-31(53)19-44(28-16-10-14-26(36(28)49-40(44)57)42-21-33(55)51(3)38(42)47-30-18-8-6-12-24(30)42)43-22-34(56)52(4)39(43)48-35-25(13-9-15-27(35)43)41-20-32(54)50(2)37(41)46-29-17-7-5-11-23(29)41/h5-18,37-39,46-48H,19-22H2,1-4H3,(H,45,53)(H,49,57)/t37-,38-,39+,41-,42-,43-,44+/m1/s1
InChIKeyLQJIHRYHDULSFZ-KGHDTMKESA-N
MW762.87 g/mol
LogP3.36
Rot. Bonds5

About 2-[(3R)-3-[(3aS,8bS)-5-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-7-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-2-oxo-1H-indol-3-yl]-N-methylacetamide

2-[(3R)-3-[(3aS,8bS)-5-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-7-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-2-oxo-1H-indol-3-yl]-N-methylacetamide (PubChem CID 129011144) has the molecular formula C44H42N8O5 and a molecular weight of 762.87 g/mol. Its IUPAC name is 2-[(3R)-3-[(3aS,8bS)-5-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-7-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-2-oxo-1H-indol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3R)-3-[(3aS,8bS)-5-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-7-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-2-oxo-1H-indol-3-yl]-N-methylacetamide
PubChem CID129011144
Molecular FormulaC44H42N8O5
Molecular Weight762.87 g/mol
Exact Mass762.33
IUPAC Name2-[(3R)-3-[(3aS,8bS)-5-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-7-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-2-oxo-1H-indol-3-yl]-N-methylacetamide
SMILESCNC(=O)C[C@@]1([C@@]23CC(=O)N(C)[C@@H]2Nc2c([C@]45CC(=O)N(C)[C@H]4Nc4ccccc45)cccc23)C(=O)Nc2c([C@]34CC(=O)N(C)[C@H]3Nc3ccccc34)cccc21
InChIInChI=1S/C44H42N8O5/c1-45-31(53)19-44(28-16-10-14-26(36(28)49-40(44)57)42-21-33(55)51(3)38(42)47-30-18-8-6-12-24(30)42)43-22-34(56)52(4)39(43)48-35-25(13-9-15-27(35)43)41-20-32(54)50(2)37(41)46-29-17-7-5-11-23(29)41/h5-18,37-39,46-48H,19-22H2,1-4H3,(H,45,53)(H,49,57)/t37-,38-,39+,41-,42-,43-,44+/m1/s1
InChIKeyLQJIHRYHDULSFZ-KGHDTMKESA-N
XLogP3.36
TPSA155.22 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500762.87
LogP ≤ 53.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-[(3R)-3-[(3aS,8bS)-5-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-7-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-2-oxo-1H-indol-3-yl]-N-methylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[(3aS,8bS)-5-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-7-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-2-oxo-1H-indol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[(3R)-3-[(3aS,8bS)-5-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-7-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-2-oxo-1H-indol-3-yl]-N-methylacetamide (CID 129011144) is 2-[(3R)-3-[(3aS,8bS)-5-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-7-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-2-oxo-1H-indol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(3R)-3-[(3aS,8bS)-5-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-7-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-2-oxo-1H-indol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[(3R)-3-[(3aS,8bS)-5-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-7-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-2-oxo-1H-indol-3-yl]-N-methylacetamide is CNC(=O)C[C@@]1([C@@]23CC(=O)N(C)[C@@H]2Nc2c([C@]45CC(=O)N(C)[C@H]4Nc4ccccc45)cccc23)C(=O)Nc2c([C@]34CC(=O)N(C)[C@H]3Nc3ccccc34)cccc21.
What is the InChIKey of 2-[(3R)-3-[(3aS,8bS)-5-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-7-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-2-oxo-1H-indol-3-yl]-N-methylacetamide?
The InChIKey is LQJIHRYHDULSFZ-KGHDTMKESA-N. The full InChI is InChI=1S/C44H42N8O5/c1-45-31(53)19-44(28-16-10-14-26(36(28)49-40(44)57)42-21-33(55)51(3)38(42)47-30-18-8-6-12-24(30)42)43-22-34(56)52(4)39(43)48-35-25(13-9-15-27(35)43)41-20-32(54)50(2)37(41)46-29-17-7-5-11-23(29)41/h5-18,37-39,46-48H,19-22H2,1-4H3,(H,45,53)(H,49,57)/t37-,38-,39+,41-,42-,43-,44+/m1/s1.
What are the key properties of 2-[(3R)-3-[(3aS,8bS)-5-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-7-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-2-oxo-1H-indol-3-yl]-N-methylacetamide?
2-[(3R)-3-[(3aS,8bS)-5-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-7-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-2-oxo-1H-indol-3-yl]-N-methylacetamide has a molecular weight of 762.87 g/mol, XLogP of 3.36, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[(3aS,8bS)-5-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-7-[(3aR,8bR)-3-methyl-2-oxo-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-2-oxo-1H-indol-3-yl]-N-methylacetamide is sourced from PubChem (CID 129011144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).