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

C56H50F9N7O5 — CID 162613134

IUPAC4-[[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
SMILESCNC(=O)c1c(CC2CCN(Cc3ccc(-c4nc(C(F)(F)F)cc(CC5CCN(Cc6ccc(-c7cccc(C(F)(F)F)n7)cc6)C5=O)c4CO)cc3)C2=O)cc(C(F)(F)F)nc1-c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C56H50F9N7O5/c1-66-51(75)48-41(27-46(56(63,64)65)69-50(48)37-17-11-32(12-18-37)28-70-21-3-6-47(70)74)25-39-20-23-72(53(39)77)30-34-9-15-36(16-10-34)49-42(31-73)40(26-45(68-49)55(60,61)62)24-38-19-22-71(52(38)76)29-33-7-13-35(14-8-33)43-4-2-5-44(67-43)54(57,58)59/h2,4-5,7-18,26-27,38-39,73H,3,6,19-25,28-31H2,1H3,(H,66,75)
InChIKeyWSEQFBKWUZDHTL-UHFFFAOYSA-N
MW1072.04 g/mol
LogP10.09
Rot. Bonds15

About 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

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 (PubChem CID 162613134) has the molecular formula C56H50F9N7O5 and a molecular weight of 1072.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[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
PubChem CID162613134
Molecular FormulaC56H50F9N7O5
Molecular Weight1072.04 g/mol
Exact Mass1071.37
IUPAC Name4-[[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
SMILESCNC(=O)c1c(CC2CCN(Cc3ccc(-c4nc(C(F)(F)F)cc(CC5CCN(Cc6ccc(-c7cccc(C(F)(F)F)n7)cc6)C5=O)c4CO)cc3)C2=O)cc(C(F)(F)F)nc1-c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C56H50F9N7O5/c1-66-51(75)48-41(27-46(56(63,64)65)69-50(48)37-17-11-32(12-18-37)28-70-21-3-6-47(70)74)25-39-20-23-72(53(39)77)30-34-9-15-36(16-10-34)49-42(31-73)40(26-45(68-49)55(60,61)62)24-38-19-22-71(52(38)76)29-33-7-13-35(14-8-33)43-4-2-5-44(67-43)54(57,58)59/h2,4-5,7-18,26-27,38-39,73H,3,6,19-25,28-31H2,1H3,(H,66,75)
InChIKeyWSEQFBKWUZDHTL-UHFFFAOYSA-N
XLogP10.09
TPSA148.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001072.04
LogP ≤ 510.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)c1c(CC2CCN(Cc3ccc(-c4nc(C(F)(F)F)cc(CC5CCN(Cc6ccc(-c7cccc(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-[[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?
The InChIKey is WSEQFBKWUZDHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50F9N7O5/c1-66-51(75)48-41(27-46(56(63,64)65)69-50(48)37-17-11-32(12-18-37)28-70-21-3-6-47(70)74)25-39-20-23-72(53(39)77)30-34-9-15-36(16-10-34)49-42(31-73)40(26-45(68-49)55(60,61)62)24-38-19-22-71(52(38)76)29-33-7-13-35(14-8-33)43-4-2-5-44(67-43)54(57,58)59/h2,4-5,7-18,26-27,38-39,73H,3,6,19-25,28-31H2,1H3,(H,66,75).
What are the key properties of 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?
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 has a molecular weight of 1072.04 g/mol, XLogP of 10.09, 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-[[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 is sourced from PubChem (CID 162613134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).