(3R)-1-benzylpiperidin-3-amine;N-[(3R)-1-benzylpiperidin-3-yl]-5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(4-methylphenyl)sulfonyl-N-[(3R)-piperidin-3-yl]pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;2-cyanoacetic acid;4-methylbenzenesulfonyl chloride

C103H106Br5Cl3N20O11S4 — CID 157309649

About (3R)-1-benzylpiperidin-3-amine;N-[(3R)-1-benzylpiperidin-3-yl]-5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(4-methylphenyl)sulfonyl-N-[(3R)-piperidin-3-yl]pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;2-cyanoacetic acid;4-methylbenzenesulfonyl chloride

(3R)-1-benzylpiperidin-3-amine;N-[(3R)-1-benzylpiperidin-3-yl]-5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(4-methylphenyl)sulfonyl-N-[(3R)-piperidin-3-yl]pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;2-cyanoacetic acid;4-methylbenzenesulfonyl chloride (PubChem CID 157309649) has the molecular formula C103H106Br5Cl3N20O11S4 and a molecular weight of 2434.26 g/mol. Its IUPAC name is (3R)-1-benzylpiperidin-3-amine;N-[(3R)-1-benzylpiperidin-3-yl]-5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(4-methylphenyl)sulfonyl-N-[(3R)-piperidin-3-yl]pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;2-cyanoacetic acid;4-methylbenzenesulfonyl chloride.

Molecular Properties

• Compound Name: (3R)-1-benzylpiperidin-3-amine;N-[(3R)-1-benzylpiperidin-3-yl]-5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(4-methylphenyl)sulfonyl-N-[(3R)-piperidin-3-yl]pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;2-cyanoacetic acid;4-methylbenzenesulfonyl chloride
• PubChem CID: 157309649
• Molecular Formula: C103H106Br5Cl3N20O11S4
• Molecular Weight: 2434.26 g/mol
• Exact Mass: 2426.22
• IUPAC Name: (3R)-1-benzylpiperidin-3-amine;N-[(3R)-1-benzylpiperidin-3-yl]-5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(4-methylphenyl)sulfonyl-N-[(3R)-piperidin-3-yl]pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;2-cyanoacetic acid;4-methylbenzenesulfonyl chloride
• SMILES: Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)c(Br)cnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N[C@@H]4CCCN(Cc5ccccc5)C4)c(Br)cnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N[C@@H]4CCCNC4)c(Br)cnc32)cc1.Clc1c(Br)cnc2[nH]ccc12.N#CCC(=O)N1CCC[C@@H](Nc2c(Br)cnc3[nH]ccc23)C1.N#CCC(=O)O.N[C@@H]1CCCN(Cc2ccccc2)C1
• InChI: InChI=1S/C26H27BrN4O2S.C19H21BrN4O2S.C15H16BrN5O.C14H10BrClN2O2S.C12H18N2.C7H4BrClN2.C7H7ClO2S.C3H3NO2/c1-19-9-11-22(12-10-19)34(32,33)31-15-13-23-25(24(27)16-28-26(23)31)29-21-8-5-14-30(18-21)17-20-6-3-2-4-7-20;1-13-4-6-15(7-5-13)27(25,26)24-10-8-16-18(17(20)12-22-19(16)24)23-14-3-2-9-21-11-14;16-12-8-19-15-11(4-6-18-15)14(12)20-10-2-1-7-21(9-10)13(22)3-5-17;1-9-2-4-10(5-3-9)21(19,20)18-7-6-11-13(16)12(15)8-17-14(11)18;13-12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;8-5-3-11-7-4(6(5)9)1-2-10-7;1-6-2-4-7(5-3-6)11(8,9)10;4-2-1-3(5)6/h2-4,6-7,9-13,15-16,21H,5,8,14,17-18H2,1H3,(H,28,29);4-8,10,12,14,21H,2-3,9,11H2,1H3,(H,22,23);4,6,8,10H,1-3,7,9H2,(H2,18,19,20);2-8H,1H3;1-3,5-6,12H,4,7-10,13H2;1-3H,(H,10,11);2-5H,1H3;1H2,(H,5,6)/t21-;14-;10-;;12-;;;/m111.1.../s1
• InChIKey: BCWUZHMPZZWGIR-HTWRVSPSSA-N
• XLogP: 22.06
• TPSA: 433.19 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2434.26
LogP ≤ 5	22.06
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzylpiperidin-3-amine;N-[(3R)-1-benzylpiperidin-3-yl]-5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(4-methylphenyl)sulfonyl-N-[(3R)-piperidin-3-yl]pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;2-cyanoacetic acid;4-methylbenzenesulfonyl chloride?

The IUPAC name of (3R)-1-benzylpiperidin-3-amine;N-[(3R)-1-benzylpiperidin-3-yl]-5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(4-methylphenyl)sulfonyl-N-[(3R)-piperidin-3-yl]pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;2-cyanoacetic acid;4-methylbenzenesulfonyl chloride (CID 157309649) is (3R)-1-benzylpiperidin-3-amine;N-[(3R)-1-benzylpiperidin-3-yl]-5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(4-methylphenyl)sulfonyl-N-[(3R)-piperidin-3-yl]pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;2-cyanoacetic acid;4-methylbenzenesulfonyl chloride.

What is the SMILES notation for (3R)-1-benzylpiperidin-3-amine;N-[(3R)-1-benzylpiperidin-3-yl]-5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(4-methylphenyl)sulfonyl-N-[(3R)-piperidin-3-yl]pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;2-cyanoacetic acid;4-methylbenzenesulfonyl chloride?

The canonical SMILES for (3R)-1-benzylpiperidin-3-amine;N-[(3R)-1-benzylpiperidin-3-yl]-5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(4-methylphenyl)sulfonyl-N-[(3R)-piperidin-3-yl]pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;2-cyanoacetic acid;4-methylbenzenesulfonyl chloride is Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)c(Br)cnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N[C@@H]4CCCN(Cc5ccccc5)C4)c(Br)cnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N[C@@H]4CCCNC4)c(Br)cnc32)cc1.Clc1c(Br)cnc2[nH]ccc12.N#CCC(=O)N1CCC[C@@H](Nc2c(Br)cnc3[nH]ccc23)C1.N#CCC(=O)O.N[C@@H]1CCCN(Cc2ccccc2)C1.

What is the InChIKey of (3R)-1-benzylpiperidin-3-amine;N-[(3R)-1-benzylpiperidin-3-yl]-5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(4-methylphenyl)sulfonyl-N-[(3R)-piperidin-3-yl]pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;2-cyanoacetic acid;4-methylbenzenesulfonyl chloride?

The InChIKey is BCWUZHMPZZWGIR-HTWRVSPSSA-N. The full InChI is InChI=1S/C26H27BrN4O2S.C19H21BrN4O2S.C15H16BrN5O.C14H10BrClN2O2S.C12H18N2.C7H4BrClN2.C7H7ClO2S.C3H3NO2/c1-19-9-11-22(12-10-19)34(32,33)31-15-13-23-25(24(27)16-28-26(23)31)29-21-8-5-14-30(18-21)17-20-6-3-2-4-7-20;1-13-4-6-15(7-5-13)27(25,26)24-10-8-16-18(17(20)12-22-19(16)24)23-14-3-2-9-21-11-14;16-12-8-19-15-11(4-6-18-15)14(12)20-10-2-1-7-21(9-10)13(22)3-5-17;1-9-2-4-10(5-3-9)21(19,20)18-7-6-11-13(16)12(15)8-17-14(11)18;13-12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;8-5-3-11-7-4(6(5)9)1-2-10-7;1-6-2-4-7(5-3-6)11(8,9)10;4-2-1-3(5)6/h2-4,6-7,9-13,15-16,21H,5,8,14,17-18H2,1H3,(H,28,29);4-8,10,12,14,21H,2-3,9,11H2,1H3,(H,22,23);4,6,8,10H,1-3,7,9H2,(H2,18,19,20);2-8H,1H3;1-3,5-6,12H,4,7-10,13H2;1-3H,(H,10,11);2-5H,1H3;1H2,(H,5,6)/t21-;14-;10-;;12-;;;/m111.1.../s1.

What are the key properties of (3R)-1-benzylpiperidin-3-amine;N-[(3R)-1-benzylpiperidin-3-yl]-5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(4-methylphenyl)sulfonyl-N-[(3R)-piperidin-3-yl]pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;2-cyanoacetic acid;4-methylbenzenesulfonyl chloride?

(3R)-1-benzylpiperidin-3-amine;N-[(3R)-1-benzylpiperidin-3-yl]-5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(4-methylphenyl)sulfonyl-N-[(3R)-piperidin-3-yl]pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;2-cyanoacetic acid;4-methylbenzenesulfonyl chloride has a molecular weight of 2434.26 g/mol, XLogP of 22.06, 19 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-benzylpiperidin-3-amine;N-[(3R)-1-benzylpiperidin-3-yl]-5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(4-methylphenyl)sulfonyl-N-[(3R)-piperidin-3-yl]pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;2-cyanoacetic acid;4-methylbenzenesulfonyl chloride is sourced from PubChem (CID 157309649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).