5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-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-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine

C125H132N32O10 — CID 157377057

About 5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-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-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine

5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-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-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine (PubChem CID 157377057) has the molecular formula C125H132N32O10 and a molecular weight of 2242.64 g/mol. Its IUPAC name is 5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-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-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-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-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 157377057
• Molecular Formula: C125H132N32O10
• Molecular Weight: 2242.64 g/mol
• Exact Mass: 2241.08
• IUPAC Name: 5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-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-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine
• SMILES: C#CCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCCCCCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCCCCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCOC(=O)COc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.Cc1cccc(Oc2cnc3[nH]cc(-c4cnn(C)c4)c3c2)c1.Cn1cc(-c2c[nH]c3ncc(OCc4ccccc4)cc23)cn1
• InChI: InChI=1S/2C18H16N4O.C17H22N4O.C16H20N4O.C15H16N4O3.C14H16N4O.C14H12N4O.C13H14N4O/c1-12-4-3-5-14(6-12)23-15-7-16-17(10-20-18(16)19-9-15)13-8-21-22(2)11-13;1-22-11-14(8-21-22)17-10-20-18-16(17)7-15(9-19-18)23-12-13-5-3-2-4-6-13;1-3-4-5-6-7-22-14-8-15-16(11-19-17(15)18-10-14)13-9-20-21(2)12-13;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;2*1-3-4-19-11-5-12-13(8-16-14(12)15-7-11)10-6-17-18(2)9-10;1-3-18-10-4-11-12(7-15-13(11)14-6-10)9-5-16-17(2)8-9/h3-11H,1-2H3,(H,19,20);2-11H,12H2,1H3,(H,19,20);8-12H,3-7H2,1-2H3,(H,18,19);7-11H,3-6H2,1-2H3,(H,17,18);4-8H,3,9H2,1-2H3,(H,16,17);5-9H,3-4H2,1-2H3,(H,15,16);1,5-9H,4H2,2H3,(H,15,16);4-8H,3H2,1-2H3,(H,14,15)
• InChIKey: BKLCWTDTMUVQDI-UHFFFAOYSA-N
• XLogP: 24.06
• TPSA: 472.14 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 35
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2242.64
LogP ≤ 5	24.06
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-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-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-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-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine (CID 157377057) is 5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-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-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-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-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-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-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine is C#CCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCCCCCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCCCCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCOC(=O)COc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.Cc1cccc(Oc2cnc3[nH]cc(-c4cnn(C)c4)c3c2)c1.Cn1cc(-c2c[nH]c3ncc(OCc4ccccc4)cc23)cn1.

What is the InChIKey of 5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-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-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is BKLCWTDTMUVQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H16N4O.C17H22N4O.C16H20N4O.C15H16N4O3.C14H16N4O.C14H12N4O.C13H14N4O/c1-12-4-3-5-14(6-12)23-15-7-16-17(10-20-18(16)19-9-15)13-8-21-22(2)11-13;1-22-11-14(8-21-22)17-10-20-18-16(17)7-15(9-19-18)23-12-13-5-3-2-4-6-13;1-3-4-5-6-7-22-14-8-15-16(11-19-17(15)18-10-14)13-9-20-21(2)12-13;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;2*1-3-4-19-11-5-12-13(8-16-14(12)15-7-11)10-6-17-18(2)9-10;1-3-18-10-4-11-12(7-15-13(11)14-6-10)9-5-16-17(2)8-9/h3-11H,1-2H3,(H,19,20);2-11H,12H2,1H3,(H,19,20);8-12H,3-7H2,1-2H3,(H,18,19);7-11H,3-6H2,1-2H3,(H,17,18);4-8H,3,9H2,1-2H3,(H,16,17);5-9H,3-4H2,1-2H3,(H,15,16);1,5-9H,4H2,2H3,(H,15,16);4-8H,3H2,1-2H3,(H,14,15).

What are the key properties of 5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-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-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine?

5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-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-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2242.64 g/mol, XLogP of 24.06, 35 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethyl 2-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]acetate;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-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-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157377057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).