5-butylsulfonyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-(4-methylphenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(2-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-enoxy-1H-pyrrolo[2,3-b]pyridine

C115H119N29O9S2 — CID 158199758

About 5-butylsulfonyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-(4-methylphenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(2-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-enoxy-1H-pyrrolo[2,3-b]pyridine

5-butylsulfonyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-(4-methylphenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(2-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-enoxy-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158199758) has the molecular formula C115H119N29O9S2 and a molecular weight of 2115.54 g/mol. Its IUPAC name is 5-butylsulfonyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-(4-methylphenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(2-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-enoxy-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 5-butylsulfonyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-(4-methylphenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(2-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-enoxy-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 158199758
• Molecular Formula: C115H119N29O9S2
• Molecular Weight: 2115.54 g/mol
• Exact Mass: 2113.92
• IUPAC Name: 5-butylsulfonyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-(4-methylphenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(2-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-enoxy-1H-pyrrolo[2,3-b]pyridine
• SMILES: C=CCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCCCCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCCCS(=O)(=O)c1cnc2[nH]cc(-c3cn[nH]c3)c2c1.CCOC(=O)COc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CN(C)c1cccc(Sc2cnc3[nH]cc(-c4cnn(C)c4)c3c2)c1.Cc1ccc(Oc2cnc3[nH]cc(-c4cnn(C)c4)c3c2)cc1.Cn1cc(-c2c[nH]c3ncc(OCCc4ccccc4)cc23)cn1
• InChI: InChI=1S/C19H19N5S.C19H18N4O.C18H16N4O.C16H20N4O.C15H16N4O3.C14H16N4O2S.C14H14N4O/c1-23(2)14-5-4-6-15(7-14)25-16-8-17-18(11-21-19(17)20-10-16)13-9-22-24(3)12-13;1-23-13-15(10-22-23)18-12-21-19-17(18)9-16(11-20-19)24-8-7-14-5-3-2-4-6-14;1-12-3-5-14(6-4-12)23-15-7-16-17(10-20-18(16)19-9-15)13-8-21-22(2)11-13;1-3-4-5-6-21-13-7-14-15(10-18-16(14)17-9-13)12-8-19-20(2)11-12;1-3-21-14(20)9-22-11-4-12-13(7-17-15(12)16-6-11)10-5-18-19(2)8-10;1-2-3-4-21(19,20)11-5-12-13(10-6-17-18-7-10)9-16-14(12)15-8-11;1-3-4-19-11-5-12-13(8-16-14(12)15-7-11)10-6-17-18(2)9-10/h4-12H,1-3H3,(H,20,21);2-6,9-13H,7-8H2,1H3,(H,20,21);3-11H,1-2H3,(H,19,20);7-11H,3-6H2,1-2H3,(H,17,18);4-8H,3,9H2,1-2H3,(H,16,17);5-9H,2-4H2,1H3,(H,15,16)(H,17,18);3,5-9H,1,4H2,2H3,(H,15,16)
• InChIKey: GAUBIHYGBKGNAL-UHFFFAOYSA-N
• XLogP: 22.32
• TPSA: 446.19 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 32
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2115.54
LogP ≤ 5	22.32
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-butylsulfonyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-(4-methylphenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(2-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-enoxy-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 5-butylsulfonyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-(4-methylphenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(2-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-enoxy-1H-pyrrolo[2,3-b]pyridine (CID 158199758) is 5-butylsulfonyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-(4-methylphenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(2-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-enoxy-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 5-butylsulfonyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-(4-methylphenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(2-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-enoxy-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 5-butylsulfonyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-(4-methylphenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(2-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-enoxy-1H-pyrrolo[2,3-b]pyridine is C=CCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCCCCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCCCS(=O)(=O)c1cnc2[nH]cc(-c3cn[nH]c3)c2c1.CCOC(=O)COc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CN(C)c1cccc(Sc2cnc3[nH]cc(-c4cnn(C)c4)c3c2)c1.Cc1ccc(Oc2cnc3[nH]cc(-c4cnn(C)c4)c3c2)cc1.Cn1cc(-c2c[nH]c3ncc(OCCc4ccccc4)cc23)cn1.

What is the InChIKey of 5-butylsulfonyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-(4-methylphenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(2-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-enoxy-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is GAUBIHYGBKGNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5S.C19H18N4O.C18H16N4O.C16H20N4O.C15H16N4O3.C14H16N4O2S.C14H14N4O/c1-23(2)14-5-4-6-15(7-14)25-16-8-17-18(11-21-19(17)20-10-16)13-9-22-24(3)12-13;1-23-13-15(10-22-23)18-12-21-19-17(18)9-16(11-20-19)24-8-7-14-5-3-2-4-6-14;1-12-3-5-14(6-4-12)23-15-7-16-17(10-20-18(16)19-9-15)13-8-21-22(2)11-13;1-3-4-5-6-21-13-7-14-15(10-18-16(14)17-9-13)12-8-19-20(2)11-12;1-3-21-14(20)9-22-11-4-12-13(7-17-15(12)16-6-11)10-5-18-19(2)8-10;1-2-3-4-21(19,20)11-5-12-13(10-6-17-18-7-10)9-16-14(12)15-8-11;1-3-4-19-11-5-12-13(8-16-14(12)15-7-11)10-6-17-18(2)9-10/h4-12H,1-3H3,(H,20,21);2-6,9-13H,7-8H2,1H3,(H,20,21);3-11H,1-2H3,(H,19,20);7-11H,3-6H2,1-2H3,(H,17,18);4-8H,3,9H2,1-2H3,(H,16,17);5-9H,2-4H2,1H3,(H,15,16)(H,17,18);3,5-9H,1,4H2,2H3,(H,15,16).

What are the key properties of 5-butylsulfonyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-(4-methylphenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(2-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-enoxy-1H-pyrrolo[2,3-b]pyridine?

5-butylsulfonyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-(4-methylphenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(2-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-enoxy-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2115.54 g/mol, XLogP of 22.32, 32 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-butylsulfonyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-(4-methylphenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(2-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-enoxy-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158199758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).