4-[[1-[[4-[3-(hydroxymethyl)-4-[[1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C57H52F9N7O6 — CID 153337829

IUPAC4-[[1-[[4-[3-(hydroxymethyl)-4-[[1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCNC(=O)c1c(CC2CCN(Cc3ccc(-c4nc(C(F)(F)F)cc(CC5CCN(Cc6ccc(-c7ccc(CO)c(C(F)(F)F)n7)cc6)C5=O)c4CO)cc3)C2=O)cc(C(F)(F)F)nc1-c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C57H52F9N7O6/c1-67-52(77)48-42(26-46(56(61,62)63)70-50(48)37-14-8-32(9-15-37)27-71-20-2-3-47(71)76)24-39-19-22-73(54(39)79)29-34-6-12-36(13-7-34)49-43(31-75)41(25-45(69-49)55(58,59)60)23-38-18-21-72(53(38)78)28-33-4-10-35(11-5-33)44-17-16-40(30-74)51(68-44)57(64,65)66/h4-17,25-26,38-39,74-75H,2-3,18-24,27-31H2,1H3,(H,67,77)
InChIKeyVKICSQLGRNIAIR-UHFFFAOYSA-N
MW1102.07 g/mol
LogP9.58
Rot. Bonds16

About 4-[[1-[[4-[3-(hydroxymethyl)-4-[[1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

4-[[1-[[4-[3-(hydroxymethyl)-4-[[1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 153337829) has the molecular formula C57H52F9N7O6 and a molecular weight of 1102.07 g/mol. Its IUPAC name is 4-[[1-[[4-[3-(hydroxymethyl)-4-[[1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[1-[[4-[3-(hydroxymethyl)-4-[[1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID153337829
Molecular FormulaC57H52F9N7O6
Molecular Weight1102.07 g/mol
Exact Mass1101.38
IUPAC Name4-[[1-[[4-[3-(hydroxymethyl)-4-[[1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCNC(=O)c1c(CC2CCN(Cc3ccc(-c4nc(C(F)(F)F)cc(CC5CCN(Cc6ccc(-c7ccc(CO)c(C(F)(F)F)n7)cc6)C5=O)c4CO)cc3)C2=O)cc(C(F)(F)F)nc1-c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C57H52F9N7O6/c1-67-52(77)48-42(26-46(56(61,62)63)70-50(48)37-14-8-32(9-15-37)27-71-20-2-3-47(71)76)24-39-19-22-73(54(39)79)29-34-6-12-36(13-7-34)49-43(31-75)41(25-45(69-49)55(58,59)60)23-38-18-21-72(53(38)78)28-33-4-10-35(11-5-33)44-17-16-40(30-74)51(68-44)57(64,65)66/h4-17,25-26,38-39,74-75H,2-3,18-24,27-31H2,1H3,(H,67,77)
InChIKeyVKICSQLGRNIAIR-UHFFFAOYSA-N
XLogP9.58
TPSA169.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001102.07
LogP ≤ 59.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[[1-[[4-[3-(hydroxymethyl)-4-[[1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

4-[[1-[[4-[3-(hydroxymethyl)-4-[[1-[[4-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 153337807
N,4-dimethyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 157314610
[2-Methyl-6-[4-(trifluoromethyl)phenyl]pyridin-3-yl]methanol;2-[[2-methyl-6-[4-(trifluoromethyl)phenyl]pyridin-3-yl]methyl]isoindole-1,3-dione
CID 158769097
2-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxylic acid;bis(2-methyl-1-(3-morpholin-4-ylpropyl)-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide);3-(trifluoromethyl)aniline;dihydrochloride
CID 160269953
4,6-dimethyl-3-[3-[2-methyl-1-[1-[1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indole-3-carboxamide;2-methyl-1-[1-[1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indole-3-carboxylic acid
CID 160991927
4-[[1-[[4-[3-(hydroxymethyl)-4-[[2-oxo-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 162613134
Sodium;tris(carbon dioxide);4-[3-(4-carboxyphenyl)piperidine-1-carbonyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzoic acid;4-[1-[3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzoyl]piperidin-3-yl]benzoic acid;3-phenylpiperidine;hydroxide
CID 158117946
2-[4-[Hydroxy(phenyl)methyl]phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide;methane;2-[4-(2-phenylacetyl)phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide
CID 159841215

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[4-[3-(hydroxymethyl)-4-[[1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 4-[[1-[[4-[3-(hydroxymethyl)-4-[[1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 153337829) is 4-[[1-[[4-[3-(hydroxymethyl)-4-[[1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[1-[[4-[3-(hydroxymethyl)-4-[[1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[1-[[4-[3-(hydroxymethyl)-4-[[1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is CNC(=O)c1c(CC2CCN(Cc3ccc(-c4nc(C(F)(F)F)cc(CC5CCN(Cc6ccc(-c7ccc(CO)c(C(F)(F)F)n7)cc6)C5=O)c4CO)cc3)C2=O)cc(C(F)(F)F)nc1-c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of 4-[[1-[[4-[3-(hydroxymethyl)-4-[[1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is VKICSQLGRNIAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H52F9N7O6/c1-67-52(77)48-42(26-46(56(61,62)63)70-50(48)37-14-8-32(9-15-37)27-71-20-2-3-47(71)76)24-39-19-22-73(54(39)79)29-34-6-12-36(13-7-34)49-43(31-75)41(25-45(69-49)55(58,59)60)23-38-18-21-72(53(38)78)28-33-4-10-35(11-5-33)44-17-16-40(30-74)51(68-44)57(64,65)66/h4-17,25-26,38-39,74-75H,2-3,18-24,27-31H2,1H3,(H,67,77).
What are the key properties of 4-[[1-[[4-[3-(hydroxymethyl)-4-[[1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
4-[[1-[[4-[3-(hydroxymethyl)-4-[[1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 1102.07 g/mol, XLogP of 9.58, 16 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[[4-[3-(hydroxymethyl)-4-[[1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 153337829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).