N-[10-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]decyl]-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

C43H53N9O5 — CID 176932522

IUPACN-[10-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]decyl]-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
SMILESCN(CCCCCCCCCCc1cccc2c1n(C)c(=O)n2C1CCC(=O)NC1=O)C(=O)c1cc2ccc(C3=CCCN(C(=O)CCn4ccnn4)C3)cc2[nH]1
InChIInChI=1S/C43H53N9O5/c1-48(42(56)35-28-32-18-17-31(27-34(32)45-35)33-15-12-24-50(29-33)39(54)21-25-51-26-22-44-47-51)23-10-8-6-4-3-5-7-9-13-30-14-11-16-36-40(30)49(2)43(57)52(36)37-19-20-38(53)46-41(37)55/h11,14-18,22,26-28,37,45H,3-10,12-13,19-21,23-25,29H2,1-2H3,(H,46,53,55)
InChIKeyOAJPBFYYMYQGTQ-UHFFFAOYSA-N
MW775.96 g/mol
LogP5.53
Rot. Bonds17

About N-[10-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]decyl]-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

N-[10-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]decyl]-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (PubChem CID 176932522) has the molecular formula C43H53N9O5 and a molecular weight of 775.96 g/mol. Its IUPAC name is N-[10-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]decyl]-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[10-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]decyl]-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
PubChem CID176932522
Molecular FormulaC43H53N9O5
Molecular Weight775.96 g/mol
Exact Mass775.42
IUPAC NameN-[10-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]decyl]-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
SMILESCN(CCCCCCCCCCc1cccc2c1n(C)c(=O)n2C1CCC(=O)NC1=O)C(=O)c1cc2ccc(C3=CCCN(C(=O)CCn4ccnn4)C3)cc2[nH]1
InChIInChI=1S/C43H53N9O5/c1-48(42(56)35-28-32-18-17-31(27-34(32)45-35)33-15-12-24-50(29-33)39(54)21-25-51-26-22-44-47-51)23-10-8-6-4-3-5-7-9-13-30-14-11-16-36-40(30)49(2)43(57)52(36)37-19-20-38(53)46-41(37)55/h11,14-18,22,26-28,37,45H,3-10,12-13,19-21,23-25,29H2,1-2H3,(H,46,53,55)
InChIKeyOAJPBFYYMYQGTQ-UHFFFAOYSA-N
XLogP5.53
TPSA160.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.96
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[10-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]decyl]-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[10-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]decyl]-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 176932072
4-[4-[8-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]octyl]piperazin-1-yl]-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 176932234
4-[4-[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]piperazin-1-yl]phenyl]-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 176932203
3-[3-methyl-2-oxo-4-(4-oxo-4-piperazin-1-ylbutyl)benzimidazol-1-yl]piperidine-2,6-dione
CID 146599424
4-[5-[4-[3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]piperidin-1-yl]-5-oxopent-1-ynyl]-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 176933078
1-[5-(2-pyridazin-3-yl-1H-indol-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177170462
3-[4-(3-hydroperoxypropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 175172491
N,N-dimethyl-4-phenoxy-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 177170048
4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]phenyl]-N-ethyl-7-fluoro-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 176932690
tert-butyl 4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]butanoate
CID 146598344
N,N-dimethyl-6-[1-[3-(5-methyltriazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 177169921
3-[3-methyl-4-[3-(methylamino)propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 138694181

Frequently Asked Questions

What is the IUPAC name of N-[10-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]decyl]-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[10-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]decyl]-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (CID 176932522) is N-[10-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]decyl]-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[10-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]decyl]-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[10-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]decyl]-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is CN(CCCCCCCCCCc1cccc2c1n(C)c(=O)n2C1CCC(=O)NC1=O)C(=O)c1cc2ccc(C3=CCCN(C(=O)CCn4ccnn4)C3)cc2[nH]1.
What is the InChIKey of N-[10-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]decyl]-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
The InChIKey is OAJPBFYYMYQGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H53N9O5/c1-48(42(56)35-28-32-18-17-31(27-34(32)45-35)33-15-12-24-50(29-33)39(54)21-25-51-26-22-44-47-51)23-10-8-6-4-3-5-7-9-13-30-14-11-16-36-40(30)49(2)43(57)52(36)37-19-20-38(53)46-41(37)55/h11,14-18,22,26-28,37,45H,3-10,12-13,19-21,23-25,29H2,1-2H3,(H,46,53,55).
What are the key properties of N-[10-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]decyl]-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
N-[10-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]decyl]-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide has a molecular weight of 775.96 g/mol, XLogP of 5.53, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]decyl]-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 176932522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).