5-butoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-cyclopentyloxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(2-methylphenoxy)-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

C98H96FN25O6 — CID 161248214

About 5-butoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-cyclopentyloxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(2-methylphenoxy)-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

5-butoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-cyclopentyloxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(2-methylphenoxy)-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 (PubChem CID 161248214) has the molecular formula C98H96FN25O6 and a molecular weight of 1739.01 g/mol. Its IUPAC name is 5-butoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-cyclopentyloxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(2-methylphenoxy)-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.

Molecular Properties

• Compound Name: 5-butoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-cyclopentyloxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(2-methylphenoxy)-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
• PubChem CID: 161248214
• Molecular Formula: C98H96FN25O6
• Molecular Weight: 1739.01 g/mol
• Exact Mass: 1737.80
• IUPAC Name: 5-butoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-cyclopentyloxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(2-methylphenoxy)-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
• SMILES: CCCCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.Cc1cccc(Oc2cnc3[nH]cc(-c4cnn(C)c4)c3c2)c1.Cc1ccccc1Oc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.Cn1cc(-c2c[nH]c3ncc(NC(=O)c4ccc(F)cc4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(OC4CCCC4)cc23)cn1
• InChI: InChI=1S/C18H14FN5O.2C18H16N4O.C16H18N4O.C15H18N4O.C13H14N4O/c1-24-10-12(7-22-24)16-9-21-17-15(16)6-14(8-20-17)23-18(25)11-2-4-13(19)5-3-11;1-12-4-3-5-14(6-12)23-15-7-16-17(10-20-18(16)19-9-15)13-8-21-22(2)11-13;1-12-5-3-4-6-17(12)23-14-7-15-16(10-20-18(15)19-9-14)13-8-21-22(2)11-13;1-20-10-11(7-19-20)15-9-18-16-14(15)6-13(8-17-16)21-12-4-2-3-5-12;1-3-4-5-20-12-6-13-14(9-17-15(13)16-8-12)11-7-18-19(2)10-11;1-3-18-10-4-11-12(7-15-13(11)14-6-10)9-5-16-17(2)8-9/h2-10H,1H3,(H,20,21)(H,23,25);2*3-11H,1-2H3,(H,19,20);6-10,12H,2-5H2,1H3,(H,17,18);6-10H,3-5H2,1-2H3,(H,16,17);4-8H,3H2,1-2H3,(H,14,15)
• InChIKey: VAXMDZVRSWYTKT-UHFFFAOYSA-N
• XLogP: 20.27
• TPSA: 354.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1739.01
LogP ≤ 5	20.27
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-cyclopentyloxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(2-methylphenoxy)-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?

The IUPAC name of 5-butoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-cyclopentyloxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(2-methylphenoxy)-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 (CID 161248214) is 5-butoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-cyclopentyloxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(2-methylphenoxy)-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.

What is the SMILES notation for 5-butoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-cyclopentyloxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(2-methylphenoxy)-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?

The canonical SMILES for 5-butoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-cyclopentyloxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(2-methylphenoxy)-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 is CCCCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.Cc1cccc(Oc2cnc3[nH]cc(-c4cnn(C)c4)c3c2)c1.Cc1ccccc1Oc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.Cn1cc(-c2c[nH]c3ncc(NC(=O)c4ccc(F)cc4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(OC4CCCC4)cc23)cn1.

What is the InChIKey of 5-butoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-cyclopentyloxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(2-methylphenoxy)-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?

The InChIKey is VAXMDZVRSWYTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O.2C18H16N4O.C16H18N4O.C15H18N4O.C13H14N4O/c1-24-10-12(7-22-24)16-9-21-17-15(16)6-14(8-20-17)23-18(25)11-2-4-13(19)5-3-11;1-12-4-3-5-14(6-12)23-15-7-16-17(10-20-18(16)19-9-15)13-8-21-22(2)11-13;1-12-5-3-4-6-17(12)23-14-7-15-16(10-20-18(15)19-9-14)13-8-21-22(2)11-13;1-20-10-11(7-19-20)15-9-18-16-14(15)6-13(8-17-16)21-12-4-2-3-5-12;1-3-4-5-20-12-6-13-14(9-17-15(13)16-8-12)11-7-18-19(2)10-11;1-3-18-10-4-11-12(7-15-13(11)14-6-10)9-5-16-17(2)8-9/h2-10H,1H3,(H,20,21)(H,23,25);2*3-11H,1-2H3,(H,19,20);6-10,12H,2-5H2,1H3,(H,17,18);6-10H,3-5H2,1-2H3,(H,16,17);4-8H,3H2,1-2H3,(H,14,15).

What are the key properties of 5-butoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-cyclopentyloxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(2-methylphenoxy)-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?

5-butoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-cyclopentyloxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(2-methylphenoxy)-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 has a molecular weight of 1739.01 g/mol, XLogP of 20.27, 20 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-butoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-cyclopentyloxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-ethoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(2-methylphenoxy)-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 is sourced from PubChem (CID 161248214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).