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

C57H52F9N7O5 — CID 153337807

IUPAC4-[[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
SMILESCNC(=O)c1c(CC2CCN(Cc3ccc(-c4nc(C(F)(F)F)cc(CC5CCN(Cc6ccc(-c7ccc(C)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/C57H52F9N7O5/c1-32-5-18-44(68-51(32)57(64,65)66)36-12-6-34(7-13-36)29-72-22-19-39(53(72)77)24-41-26-45(55(58,59)60)69-49(43(41)31-74)37-14-8-35(9-15-37)30-73-23-20-40(54(73)78)25-42-27-46(56(61,62)63)70-50(48(42)52(76)67-2)38-16-10-33(11-17-38)28-71-21-3-4-47(71)75/h5-18,26-27,39-40,74H,3-4,19-25,28-31H2,1-2H3,(H,67,76)
InChIKeyAWBZRQAOVSZTSB-UHFFFAOYSA-N
MW1086.07 g/mol
LogP10.39
Rot. Bonds15

About 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

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 (PubChem CID 153337807) has the molecular formula C57H52F9N7O5 and a molecular weight of 1086.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[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
PubChem CID153337807
Molecular FormulaC57H52F9N7O5
Molecular Weight1086.07 g/mol
Exact Mass1085.39
IUPAC Name4-[[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
SMILESCNC(=O)c1c(CC2CCN(Cc3ccc(-c4nc(C(F)(F)F)cc(CC5CCN(Cc6ccc(-c7ccc(C)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/C57H52F9N7O5/c1-32-5-18-44(68-51(32)57(64,65)66)36-12-6-34(7-13-36)29-72-22-19-39(53(72)77)24-41-26-45(55(58,59)60)69-49(43(41)31-74)37-14-8-35(9-15-37)30-73-23-20-40(54(73)78)25-42-27-46(56(61,62)63)70-50(48(42)52(76)67-2)38-16-10-33(11-17-38)28-71-21-3-4-47(71)75/h5-18,26-27,39-40,74H,3-4,19-25,28-31H2,1-2H3,(H,67,76)
InChIKeyAWBZRQAOVSZTSB-UHFFFAOYSA-N
XLogP10.39
TPSA148.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001086.07
LogP ≤ 510.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

4-[[1-[[4-[3-(hydroxymethyl)-4-[[1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)pyridin-2-yl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyridin-2-yl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 153337829
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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)c1c(CC2CCN(Cc3ccc(-c4nc(C(F)(F)F)cc(CC5CCN(Cc6ccc(-c7ccc(C)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-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?
The InChIKey is AWBZRQAOVSZTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H52F9N7O5/c1-32-5-18-44(68-51(32)57(64,65)66)36-12-6-34(7-13-36)29-72-22-19-39(53(72)77)24-41-26-45(55(58,59)60)69-49(43(41)31-74)37-14-8-35(9-15-37)30-73-23-20-40(54(73)78)25-42-27-46(56(61,62)63)70-50(48(42)52(76)67-2)38-16-10-33(11-17-38)28-71-21-3-4-47(71)75/h5-18,26-27,39-40,74H,3-4,19-25,28-31H2,1-2H3,(H,67,76).
What are the key properties of 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?
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 has a molecular weight of 1086.07 g/mol, XLogP of 10.39, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153337807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).