5-[2-tert-butyl-6-[6-[[6-tert-butyl-4-[1-(cyclohexylmethyl)-5-methyl-4-(oxetan-3-ylcarbamoyl)pyrrol-2-yl]-2-pyridinyl]oxy]-2,5-dimethylhexan-2-yl]-4-pyridinyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide

C58H84N6O5 — CID 123265166

IUPAC5-[2-tert-butyl-6-[6-[[6-tert-butyl-4-[1-(cyclohexylmethyl)-5-methyl-4-(oxetan-3-ylcarbamoyl)pyrrol-2-yl]-2-pyridinyl]oxy]-2,5-dimethylhexan-2-yl]-4-pyridinyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)NC2COC2)cc(-c2cc(OCC(C)CCC(C)(C)c3cc(-c4cc(C(=O)NC5COC5)c(C)n4CC4CCCCC4)cc(C(C)(C)C)n3)nc(C(C)(C)C)c2)n1CC1CCCCC1
InChIInChI=1S/C58H84N6O5/c1-37(32-69-53-27-43(25-51(62-53)57(7,8)9)49-29-47(55(66)60-45-35-68-36-45)39(3)64(49)31-41-20-16-13-17-21-41)22-23-58(10,11)52-26-42(24-50(61-52)56(4,5)6)48-28-46(54(65)59-44-33-67-34-44)38(2)63(48)30-40-18-14-12-15-19-40/h24-29,37,40-41,44-45H,12-23,30-36H2,1-11H3,(H,59,65)(H,60,66)
InChIKeyHSJALDAHHVKHJT-UHFFFAOYSA-N
MW945.35 g/mol
LogP11.82
Rot. Bonds17

About 5-[2-tert-butyl-6-[6-[[6-tert-butyl-4-[1-(cyclohexylmethyl)-5-methyl-4-(oxetan-3-ylcarbamoyl)pyrrol-2-yl]-2-pyridinyl]oxy]-2,5-dimethylhexan-2-yl]-4-pyridinyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide

5-[2-tert-butyl-6-[6-[[6-tert-butyl-4-[1-(cyclohexylmethyl)-5-methyl-4-(oxetan-3-ylcarbamoyl)pyrrol-2-yl]-2-pyridinyl]oxy]-2,5-dimethylhexan-2-yl]-4-pyridinyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide (PubChem CID 123265166) has the molecular formula C58H84N6O5 and a molecular weight of 945.35 g/mol. Its IUPAC name is 5-[2-tert-butyl-6-[6-[[6-tert-butyl-4-[1-(cyclohexylmethyl)-5-methyl-4-(oxetan-3-ylcarbamoyl)pyrrol-2-yl]-2-pyridinyl]oxy]-2,5-dimethylhexan-2-yl]-4-pyridinyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[2-tert-butyl-6-[6-[[6-tert-butyl-4-[1-(cyclohexylmethyl)-5-methyl-4-(oxetan-3-ylcarbamoyl)pyrrol-2-yl]-2-pyridinyl]oxy]-2,5-dimethylhexan-2-yl]-4-pyridinyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide
PubChem CID123265166
Molecular FormulaC58H84N6O5
Molecular Weight945.35 g/mol
Exact Mass944.65
IUPAC Name5-[2-tert-butyl-6-[6-[[6-tert-butyl-4-[1-(cyclohexylmethyl)-5-methyl-4-(oxetan-3-ylcarbamoyl)pyrrol-2-yl]-2-pyridinyl]oxy]-2,5-dimethylhexan-2-yl]-4-pyridinyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)NC2COC2)cc(-c2cc(OCC(C)CCC(C)(C)c3cc(-c4cc(C(=O)NC5COC5)c(C)n4CC4CCCCC4)cc(C(C)(C)C)n3)nc(C(C)(C)C)c2)n1CC1CCCCC1
InChIInChI=1S/C58H84N6O5/c1-37(32-69-53-27-43(25-51(62-53)57(7,8)9)49-29-47(55(66)60-45-35-68-36-45)39(3)64(49)31-41-20-16-13-17-21-41)22-23-58(10,11)52-26-42(24-50(61-52)56(4,5)6)48-28-46(54(65)59-44-33-67-34-44)38(2)63(48)30-40-18-14-12-15-19-40/h24-29,37,40-41,44-45H,12-23,30-36H2,1-11H3,(H,59,65)(H,60,66)
InChIKeyHSJALDAHHVKHJT-UHFFFAOYSA-N
XLogP11.82
TPSA121.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.35
LogP ≤ 511.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[2-tert-butyl-6-[6-[[6-tert-butyl-4-[1-(cyclohexylmethyl)-5-methyl-4-(oxetan-3-ylcarbamoyl)pyrrol-2-yl]-2-pyridinyl]oxy]-2,5-dimethylhexan-2-yl]-4-pyridinyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-tert-butyl-6-(2,2,2-trifluoroethoxy)-4-pyridinyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide
CID 71581820
5-(8-tert-butyl-1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide
CID 71582246
5-[3-tert-butyl-4-(2-methylbutan-2-ylamino)sulfanylphenyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide
CID 146357478
5-[2-tert-butyl-6-(2-methylpropoxy)-4-pyridinyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxan-4-ylmethyl)pyrrole-3-sulfonamide;4-[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylmorpholine
CID 159677322
1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrrole-3-carboxamide
CID 71566779
N-cyclohexyl-1-(cyclohexylmethyl)-5-(5-fluoro-2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 58999057
5-[3-bromo-4-(dimethylamino)phenyl]-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
CID 58998991
5-(4-chloro-2-fluoro-5-methylphenyl)-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
CID 58998986
[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]-cyclopropylmethanone
CID 118544985
5-[3,5-bis(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide
CID 58999141
N-cyclobutyl-1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 70948738
N-butyl-1-(cyclohexylmethyl)-5-[4-(2,2-difluoroethoxy)phenyl]-2-methylpyrrole-3-carboxamide
CID 153011506

Frequently Asked Questions

What is the IUPAC name of 5-[2-tert-butyl-6-[6-[[6-tert-butyl-4-[1-(cyclohexylmethyl)-5-methyl-4-(oxetan-3-ylcarbamoyl)pyrrol-2-yl]-2-pyridinyl]oxy]-2,5-dimethylhexan-2-yl]-4-pyridinyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide?
The IUPAC name of 5-[2-tert-butyl-6-[6-[[6-tert-butyl-4-[1-(cyclohexylmethyl)-5-methyl-4-(oxetan-3-ylcarbamoyl)pyrrol-2-yl]-2-pyridinyl]oxy]-2,5-dimethylhexan-2-yl]-4-pyridinyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide (CID 123265166) is 5-[2-tert-butyl-6-[6-[[6-tert-butyl-4-[1-(cyclohexylmethyl)-5-methyl-4-(oxetan-3-ylcarbamoyl)pyrrol-2-yl]-2-pyridinyl]oxy]-2,5-dimethylhexan-2-yl]-4-pyridinyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-[2-tert-butyl-6-[6-[[6-tert-butyl-4-[1-(cyclohexylmethyl)-5-methyl-4-(oxetan-3-ylcarbamoyl)pyrrol-2-yl]-2-pyridinyl]oxy]-2,5-dimethylhexan-2-yl]-4-pyridinyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide?
The canonical SMILES for 5-[2-tert-butyl-6-[6-[[6-tert-butyl-4-[1-(cyclohexylmethyl)-5-methyl-4-(oxetan-3-ylcarbamoyl)pyrrol-2-yl]-2-pyridinyl]oxy]-2,5-dimethylhexan-2-yl]-4-pyridinyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide is Cc1c(C(=O)NC2COC2)cc(-c2cc(OCC(C)CCC(C)(C)c3cc(-c4cc(C(=O)NC5COC5)c(C)n4CC4CCCCC4)cc(C(C)(C)C)n3)nc(C(C)(C)C)c2)n1CC1CCCCC1.
What is the InChIKey of 5-[2-tert-butyl-6-[6-[[6-tert-butyl-4-[1-(cyclohexylmethyl)-5-methyl-4-(oxetan-3-ylcarbamoyl)pyrrol-2-yl]-2-pyridinyl]oxy]-2,5-dimethylhexan-2-yl]-4-pyridinyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide?
The InChIKey is HSJALDAHHVKHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H84N6O5/c1-37(32-69-53-27-43(25-51(62-53)57(7,8)9)49-29-47(55(66)60-45-35-68-36-45)39(3)64(49)31-41-20-16-13-17-21-41)22-23-58(10,11)52-26-42(24-50(61-52)56(4,5)6)48-28-46(54(65)59-44-33-67-34-44)38(2)63(48)30-40-18-14-12-15-19-40/h24-29,37,40-41,44-45H,12-23,30-36H2,1-11H3,(H,59,65)(H,60,66).
What are the key properties of 5-[2-tert-butyl-6-[6-[[6-tert-butyl-4-[1-(cyclohexylmethyl)-5-methyl-4-(oxetan-3-ylcarbamoyl)pyrrol-2-yl]-2-pyridinyl]oxy]-2,5-dimethylhexan-2-yl]-4-pyridinyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide?
5-[2-tert-butyl-6-[6-[[6-tert-butyl-4-[1-(cyclohexylmethyl)-5-methyl-4-(oxetan-3-ylcarbamoyl)pyrrol-2-yl]-2-pyridinyl]oxy]-2,5-dimethylhexan-2-yl]-4-pyridinyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide has a molecular weight of 945.35 g/mol, XLogP of 11.82, 17 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-tert-butyl-6-[6-[[6-tert-butyl-4-[1-(cyclohexylmethyl)-5-methyl-4-(oxetan-3-ylcarbamoyl)pyrrol-2-yl]-2-pyridinyl]oxy]-2,5-dimethylhexan-2-yl]-4-pyridinyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 123265166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).