About 5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;4-methylcyclohexan-1-amine;tetrahydrate
5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;4-methylcyclohexan-1-amine;tetrahydrate (PubChem CID 157444830) has the molecular formula C72H88Cl3N13O6S3
and a molecular weight of 1434.14 g/mol. Its IUPAC name is 5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;4-methylcyclohexan-1-amine;tetrahydrate.
Analyze 5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;4-methylcyclohexan-1-amine;tetrahydrate with MolForge
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Frequently Asked Questions
What is the IUPAC name of 5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;4-methylcyclohexan-1-amine;tetrahydrate?
The IUPAC name of 5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;4-methylcyclohexan-1-amine;tetrahydrate (CID 157444830) is 5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;4-methylcyclohexan-1-amine;tetrahydrate.
What is the SMILES notation for 5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;4-methylcyclohexan-1-amine;tetrahydrate?
The canonical SMILES for 5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;4-methylcyclohexan-1-amine;tetrahydrate is CC1CCC(Cc2ncc(Cc3c[nH]c4ncc(Cl)cc34)cn2)CC1.CC1CCC(Cc2ncc(Cc3cn(Sc4ccccc4)c4ncc(Cl)cc34)cn2)CC1.CC1CCC(N)CC1.CS(=O)(=O)c1ncc(Cc2cn(Sc3ccccc3)c3ncc(Cl)cc23)cn1.O.O.O.O.
What is the InChIKey of 5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;4-methylcyclohexan-1-amine;tetrahydrate?
The InChIKey is ZPRPDNMEOPLUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4S.C20H23ClN4.C19H15ClN4O2S2.C7H15N.4H2O/c1-18-7-9-19(10-8-18)12-25-28-14-20(15-29-25)11-21-17-31(32-23-5-3-2-4-6-23)26-24(21)13-22(27)16-30-26;1-13-2-4-14(5-3-13)7-19-22-9-15(10-23-19)6-16-11-24-20-18(16)8-17(21)12-25-20;1-28(25,26)19-22-9-13(10-23-19)7-14-12-24(27-16-5-3-2-4-6-16)18-17(14)8-15(20)11-21-18;1-6-2-4-7(8)5-3-6;;;;/h2-6,13-19H,7-12H2,1H3;8-14H,2-7H2,1H3,(H,24,25);2-6,8-12H,7H2,1H3;6-7H,2-5,8H2,1H3;4*1H2.
What are the key properties of 5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;4-methylcyclohexan-1-amine;tetrahydrate?
5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;4-methylcyclohexan-1-amine;tetrahydrate has a molecular weight of 1434.14 g/mol, XLogP of 14.22, 15 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[(4-methylcyclohexyl)methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]-1-phenylsulfanylpyrrolo[2,3-b]pyridine;4-methylcyclohexan-1-amine;tetrahydrate is sourced from PubChem (CID 157444830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).