About (2S)-3-[6-acetyl-2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]benzimidazol-1-yl]-2-methoxy-N-(1,3-thiazol-2-yl)propanamide;2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]-3-[(2R)-2-methoxy-3-oxo-4-(1,3-thiazol-2-yl)butyl]benzimidazole-5-carboxylic acid
(2S)-3-[6-acetyl-2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]benzimidazol-1-yl]-2-methoxy-N-(1,3-thiazol-2-yl)propanamide;2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]-3-[(2R)-2-methoxy-3-oxo-4-(1,3-thiazol-2-yl)butyl]benzimidazole-5-carboxylic acid (PubChem CID 157298612) has the molecular formula C74H61F2N11O7S2
and a molecular weight of 1318.50 g/mol. Its IUPAC name is (2S)-3-[6-acetyl-2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]benzimidazol-1-yl]-2-methoxy-N-(1,3-thiazol-2-yl)propanamide;2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]-3-[(2R)-2-methoxy-3-oxo-4-(1,3-thiazol-2-yl)butyl]benzimidazole-5-carboxylic acid.
Analyze (2S)-3-[6-acetyl-2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]benzimidazol-1-yl]-2-methoxy-N-(1,3-thiazol-2-yl)propanamide;2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]-3-[(2R)-2-methoxy-3-oxo-4-(1,3-thiazol-2-yl)butyl]benzimidazole-5-carboxylic acid with MolForge
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Frequently Asked Questions
What is the IUPAC name of (2S)-3-[6-acetyl-2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]benzimidazol-1-yl]-2-methoxy-N-(1,3-thiazol-2-yl)propanamide;2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]-3-[(2R)-2-methoxy-3-oxo-4-(1,3-thiazol-2-yl)butyl]benzimidazole-5-carboxylic acid?
The IUPAC name of (2S)-3-[6-acetyl-2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]benzimidazol-1-yl]-2-methoxy-N-(1,3-thiazol-2-yl)propanamide;2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]-3-[(2R)-2-methoxy-3-oxo-4-(1,3-thiazol-2-yl)butyl]benzimidazole-5-carboxylic acid (CID 157298612) is (2S)-3-[6-acetyl-2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]benzimidazol-1-yl]-2-methoxy-N-(1,3-thiazol-2-yl)propanamide;2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]-3-[(2R)-2-methoxy-3-oxo-4-(1,3-thiazol-2-yl)butyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for (2S)-3-[6-acetyl-2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]benzimidazol-1-yl]-2-methoxy-N-(1,3-thiazol-2-yl)propanamide;2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]-3-[(2R)-2-methoxy-3-oxo-4-(1,3-thiazol-2-yl)butyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for (2S)-3-[6-acetyl-2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]benzimidazol-1-yl]-2-methoxy-N-(1,3-thiazol-2-yl)propanamide;2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]-3-[(2R)-2-methoxy-3-oxo-4-(1,3-thiazol-2-yl)butyl]benzimidazole-5-carboxylic acid is CO[C@@H](Cn1c(Cc2ccc(-c3cccc(CCc4ccc(C#N)cc4F)n3)cc2)nc2ccc(C(C)=O)cc21)C(=O)Nc1nccs1.CO[C@H](Cn1c(Cc2ccc(-c3cccc(CCc4ccc(C#N)cc4F)n3)cc2)nc2ccc(C(=O)O)cc21)C(=O)Cc1nccs1.
What is the InChIKey of (2S)-3-[6-acetyl-2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]benzimidazol-1-yl]-2-methoxy-N-(1,3-thiazol-2-yl)propanamide;2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]-3-[(2R)-2-methoxy-3-oxo-4-(1,3-thiazol-2-yl)butyl]benzimidazole-5-carboxylic acid?
The InChIKey is BBQBITXSOGIYAD-NRHLLJQRSA-N. The full InChI is InChI=1S/C37H31FN6O3S.C37H30FN5O4S/c1-23(45)28-13-15-32-33(20-28)44(22-34(47-2)36(46)43-37-40-16-17-48-37)35(42-32)19-24-6-10-27(11-7-24)31-5-3-4-29(41-31)14-12-26-9-8-25(21-39)18-30(26)38;1-47-34(33(44)20-36-40-15-16-48-36)22-43-32-19-27(37(45)46)12-14-31(32)42-35(43)18-23-5-9-26(10-6-23)30-4-2-3-28(41-30)13-11-25-8-7-24(21-39)17-29(25)38/h3-11,13,15-18,20,34H,12,14,19,22H2,1-2H3,(H,40,43,46);2-10,12,14-17,19,34H,11,13,18,20,22H2,1H3,(H,45,46)/t2*34-/m01/s1.
What are the key properties of (2S)-3-[6-acetyl-2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]benzimidazol-1-yl]-2-methoxy-N-(1,3-thiazol-2-yl)propanamide;2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]-3-[(2R)-2-methoxy-3-oxo-4-(1,3-thiazol-2-yl)butyl]benzimidazole-5-carboxylic acid?
(2S)-3-[6-acetyl-2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]benzimidazol-1-yl]-2-methoxy-N-(1,3-thiazol-2-yl)propanamide;2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]-3-[(2R)-2-methoxy-3-oxo-4-(1,3-thiazol-2-yl)butyl]benzimidazole-5-carboxylic acid has a molecular weight of 1318.50 g/mol, XLogP of 13.26, 25 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[6-acetyl-2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]benzimidazol-1-yl]-2-methoxy-N-(1,3-thiazol-2-yl)propanamide;2-[[4-[6-[2-(4-cyano-2-fluorophenyl)ethyl]-2-pyridinyl]phenyl]methyl]-3-[(2R)-2-methoxy-3-oxo-4-(1,3-thiazol-2-yl)butyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 157298612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).