N-[1-[2-[1-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]ethyl]-3-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide

C46H57N9O6 — CID 176559261

IUPACN-[1-[2-[1-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]ethyl]-3-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCO[C@@]1(c2cc(C)cc(-c3cn(CCC4CCN(CC5CCN(c6ccc7c(c6)n(C)c(=O)n7C6CCC(=O)NC6=O)CC5)CC4)c4cnc(NC(C)=O)cc34)n2)CCOC1
InChIInChI=1S/C46H57N9O6/c1-29-21-36(49-41(22-29)46(60-4)14-20-61-28-46)35-27-54(40-25-47-42(24-34(35)40)48-30(2)56)19-11-31-9-15-52(16-10-31)26-32-12-17-53(18-13-32)33-5-6-37-39(23-33)51(3)45(59)55(37)38-7-8-43(57)50-44(38)58/h5-6,21-25,27,31-32,38H,7-20,26,28H2,1-4H3,(H,47,48,56)(H,50,57,58)/t38?,46-/m0/s1
InChIKeyKBRAIGABMMBBFH-IPGGIQAWSA-N
MW832.02 g/mol
LogP5.28
Rot. Bonds11

About N-[1-[2-[1-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]ethyl]-3-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide

N-[1-[2-[1-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]ethyl]-3-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 176559261) has the molecular formula C46H57N9O6 and a molecular weight of 832.02 g/mol. Its IUPAC name is N-[1-[2-[1-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]ethyl]-3-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[1-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]ethyl]-3-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
PubChem CID176559261
Molecular FormulaC46H57N9O6
Molecular Weight832.02 g/mol
Exact Mass831.44
IUPAC NameN-[1-[2-[1-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]ethyl]-3-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCO[C@@]1(c2cc(C)cc(-c3cn(CCC4CCN(CC5CCN(c6ccc7c(c6)n(C)c(=O)n7C6CCC(=O)NC6=O)CC5)CC4)c4cnc(NC(C)=O)cc34)n2)CCOC1
InChIInChI=1S/C46H57N9O6/c1-29-21-36(49-41(22-29)46(60-4)14-20-61-28-46)35-27-54(40-25-47-42(24-34(35)40)48-30(2)56)19-11-31-9-15-52(16-10-31)26-32-12-17-53(18-13-32)33-5-6-37-39(23-33)51(3)45(59)55(37)38-7-8-43(57)50-44(38)58/h5-6,21-25,27,31-32,38H,7-20,26,28H2,1-4H3,(H,47,48,56)(H,50,57,58)/t38?,46-/m0/s1
InChIKeyKBRAIGABMMBBFH-IPGGIQAWSA-N
XLogP5.28
TPSA157.85 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500832.02
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze N-[1-[2-[1-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]ethyl]-3-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide with MolForge

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Related Compounds

3-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]propanoic acid
CID 166549761
1-(cyclobutylmethyl)piperazine;3-[5-(4-hydroxypiperidin-1-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 176963113
tert-butyl N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperazin-1-yl]methyl]cyclohexyl]oxyethyl]carbamate
CID 166118284
3-[3-methyl-2-oxo-5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzimidazol-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 175889645
N-[3-[6-[(3R)-3-methoxyoxolan-3-yl]-4-propoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139482485
3-[5-[4-[[4-[[1-[[7-(8-ethynyl-7-fluoro-3-methylnaphthalen-1-yl)-8-fluoro-4-morpholin-4-ylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperazin-1-yl]methyl]piperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 176740000
N-[1-[6-(3-methoxyoxolan-3-yl)-4-methyl-2-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]pyridin-6-yl]acetamide
CID 163261755
3-[5-[4-[[4-(2-aminoethoxy)cyclohexyl]methyl]piperazin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166118191
N-[5-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-7-methylpyrrolo[2,3-c]pyridazin-3-yl]acetamide
CID 163377508
3-[5-[4-(cyclobutylmethoxy)piperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 176963150
3-[3-methyl-5-[4-[[4-[3-methyl-4-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-2-yl)-2-pyridinyl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 167288721
tert-butyl 4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperazine-1-carboxylate
CID 155438203

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[1-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]ethyl]-3-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[1-[2-[1-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]ethyl]-3-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 176559261) is N-[1-[2-[1-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]ethyl]-3-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[1-[2-[1-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]ethyl]-3-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[1-[2-[1-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]ethyl]-3-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide is CO[C@@]1(c2cc(C)cc(-c3cn(CCC4CCN(CC5CCN(c6ccc7c(c6)n(C)c(=O)n7C6CCC(=O)NC6=O)CC5)CC4)c4cnc(NC(C)=O)cc34)n2)CCOC1.
What is the InChIKey of N-[1-[2-[1-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]ethyl]-3-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The InChIKey is KBRAIGABMMBBFH-IPGGIQAWSA-N. The full InChI is InChI=1S/C46H57N9O6/c1-29-21-36(49-41(22-29)46(60-4)14-20-61-28-46)35-27-54(40-25-47-42(24-34(35)40)48-30(2)56)19-11-31-9-15-52(16-10-31)26-32-12-17-53(18-13-32)33-5-6-37-39(23-33)51(3)45(59)55(37)38-7-8-43(57)50-44(38)58/h5-6,21-25,27,31-32,38H,7-20,26,28H2,1-4H3,(H,47,48,56)(H,50,57,58)/t38?,46-/m0/s1.
What are the key properties of N-[1-[2-[1-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]ethyl]-3-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?
N-[1-[2-[1-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]ethyl]-3-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 832.02 g/mol, XLogP of 5.28, 11 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[1-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]ethyl]-3-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 176559261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).