About methyl N-[(1S,2R)-2-[(1R)-1-[1-[[1-[4-cyano-3-(dimethylcarbamoyl)phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-1-(3-fluorophenyl)-3-(3-methylazetidin-1-yl)propyl]cyclopentyl]carbamate;molecular hydrogen
methyl N-[(1S,2R)-2-[(1R)-1-[1-[[1-[4-cyano-3-(dimethylcarbamoyl)phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-1-(3-fluorophenyl)-3-(3-methylazetidin-1-yl)propyl]cyclopentyl]carbamate;molecular hydrogen (PubChem CID 156886929) has the molecular formula C39H55FN6O3
and a molecular weight of 674.91 g/mol. Its IUPAC name is methyl N-[(1S,2R)-2-[(1R)-1-[1-[[1-[4-cyano-3-(dimethylcarbamoyl)phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-1-(3-fluorophenyl)-3-(3-methylazetidin-1-yl)propyl]cyclopentyl]carbamate;molecular hydrogen.
Analyze methyl N-[(1S,2R)-2-[(1R)-1-[1-[[1-[4-cyano-3-(dimethylcarbamoyl)phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-1-(3-fluorophenyl)-3-(3-methylazetidin-1-yl)propyl]cyclopentyl]carbamate;molecular hydrogen with MolForge
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Frequently Asked Questions
What is the IUPAC name of methyl N-[(1S,2R)-2-[(1R)-1-[1-[[1-[4-cyano-3-(dimethylcarbamoyl)phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-1-(3-fluorophenyl)-3-(3-methylazetidin-1-yl)propyl]cyclopentyl]carbamate;molecular hydrogen?
The IUPAC name of methyl N-[(1S,2R)-2-[(1R)-1-[1-[[1-[4-cyano-3-(dimethylcarbamoyl)phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-1-(3-fluorophenyl)-3-(3-methylazetidin-1-yl)propyl]cyclopentyl]carbamate;molecular hydrogen (CID 156886929) is methyl N-[(1S,2R)-2-[(1R)-1-[1-[[1-[4-cyano-3-(dimethylcarbamoyl)phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-1-(3-fluorophenyl)-3-(3-methylazetidin-1-yl)propyl]cyclopentyl]carbamate;molecular hydrogen.
What is the SMILES notation for methyl N-[(1S,2R)-2-[(1R)-1-[1-[[1-[4-cyano-3-(dimethylcarbamoyl)phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-1-(3-fluorophenyl)-3-(3-methylazetidin-1-yl)propyl]cyclopentyl]carbamate;molecular hydrogen?
The canonical SMILES for methyl N-[(1S,2R)-2-[(1R)-1-[1-[[1-[4-cyano-3-(dimethylcarbamoyl)phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-1-(3-fluorophenyl)-3-(3-methylazetidin-1-yl)propyl]cyclopentyl]carbamate;molecular hydrogen is COC(=O)N[C@H]1CCC[C@@H]1[C@](CCN1CC(C)C1)(c1cccc(F)c1)C1CCN(CC2CN(c3ccc(C#N)c(C(=O)N(C)C)c3)C2)CC1.[H][H].
What is the InChIKey of methyl N-[(1S,2R)-2-[(1R)-1-[1-[[1-[4-cyano-3-(dimethylcarbamoyl)phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-1-(3-fluorophenyl)-3-(3-methylazetidin-1-yl)propyl]cyclopentyl]carbamate;molecular hydrogen?
The InChIKey is HJQZDRYASYWOLX-PPMQBBOZSA-N. The full InChI is InChI=1S/C39H53FN6O3.H2/c1-27-22-45(23-27)18-15-39(31-7-5-8-32(40)19-31,35-9-6-10-36(35)42-38(48)49-4)30-13-16-44(17-14-30)24-28-25-46(26-28)33-12-11-29(21-41)34(20-33)37(47)43(2)3;/h5,7-8,11-12,19-20,27-28,30,35-36H,6,9-10,13-18,22-26H2,1-4H3,(H,42,48);1H/t35-,36-,39-;/m0./s1.
What are the key properties of methyl N-[(1S,2R)-2-[(1R)-1-[1-[[1-[4-cyano-3-(dimethylcarbamoyl)phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-1-(3-fluorophenyl)-3-(3-methylazetidin-1-yl)propyl]cyclopentyl]carbamate;molecular hydrogen?
methyl N-[(1S,2R)-2-[(1R)-1-[1-[[1-[4-cyano-3-(dimethylcarbamoyl)phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-1-(3-fluorophenyl)-3-(3-methylazetidin-1-yl)propyl]cyclopentyl]carbamate;molecular hydrogen has a molecular weight of 674.91 g/mol, XLogP of 5.60, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1S,2R)-2-[(1R)-1-[1-[[1-[4-cyano-3-(dimethylcarbamoyl)phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-1-(3-fluorophenyl)-3-(3-methylazetidin-1-yl)propyl]cyclopentyl]carbamate;molecular hydrogen is sourced from PubChem (CID 156886929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).