5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol

C87H99N21O3 — CID 158622722

About 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol

5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol (PubChem CID 158622722) has the molecular formula C87H99N21O3 and a molecular weight of 1486.89 g/mol. Its IUPAC name is 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol
• PubChem CID: 158622722
• Molecular Formula: C87H99N21O3
• Molecular Weight: 1486.89 g/mol
• Exact Mass: 1485.82
• IUPAC Name: 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol
• SMILES: CCCCCCCCc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.Cn1cc(-c2c[nH]c3ncc(CC4CCC(O)CC4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(CCCCO)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(Cn4ccc5ccccc54)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(OCC4CC4)cc23)cn1
• InChI: InChI=1S/C20H17N5.C19H26N4.C18H22N4O.C15H16N4O.C15H18N4O/c1-24-13-16(10-23-24)18-11-22-20-17(18)8-14(9-21-20)12-25-7-6-15-4-2-3-5-19(15)25;1-3-4-5-6-7-8-9-15-10-17-18(13-21-19(17)20-11-15)16-12-22-23(2)14-16;1-22-11-14(9-21-22)17-10-20-18-16(17)7-13(8-19-18)6-12-2-4-15(23)5-3-12;1-19-8-11(5-18-19)14-7-17-15-13(14)4-12(6-16-15)20-9-10-2-3-10;1-19-10-12(8-18-19)14-9-17-15-13(14)6-11(7-16-15)4-2-3-5-20/h2-11,13H,12H2,1H3,(H,21,22);10-14H,3-9H2,1-2H3,(H,20,21);7-12,15,23H,2-6H2,1H3,(H,19,20);4-8,10H,2-3,9H2,1H3,(H,16,17);6-10,20H,2-5H2,1H3,(H,16,17)
• InChIKey: HYEXYFUGNNHATN-UHFFFAOYSA-N
• XLogP: 16.92
• TPSA: 287.12 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 23
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1486.89
LogP ≤ 5	16.92
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol?

The IUPAC name of 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol (CID 158622722) is 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol.

What is the SMILES notation for 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol?

The canonical SMILES for 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol is CCCCCCCCc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.Cn1cc(-c2c[nH]c3ncc(CC4CCC(O)CC4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(CCCCO)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(Cn4ccc5ccccc54)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(OCC4CC4)cc23)cn1.

What is the InChIKey of 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol?

The InChIKey is HYEXYFUGNNHATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5.C19H26N4.C18H22N4O.C15H16N4O.C15H18N4O/c1-24-13-16(10-23-24)18-11-22-20-17(18)8-14(9-21-20)12-25-7-6-15-4-2-3-5-19(15)25;1-3-4-5-6-7-8-9-15-10-17-18(13-21-19(17)20-11-15)16-12-22-23(2)14-16;1-22-11-14(9-21-22)17-10-20-18-16(17)7-13(8-19-18)6-12-2-4-15(23)5-3-12;1-19-8-11(5-18-19)14-7-17-15-13(14)4-12(6-16-15)20-9-10-2-3-10;1-19-10-12(8-18-19)14-9-17-15-13(14)6-11(7-16-15)4-2-3-5-20/h2-11,13H,12H2,1H3,(H,21,22);10-14H,3-9H2,1-2H3,(H,20,21);7-12,15,23H,2-6H2,1H3,(H,19,20);4-8,10H,2-3,9H2,1H3,(H,16,17);6-10,20H,2-5H2,1H3,(H,16,17).

What are the key properties of 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol?

5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol has a molecular weight of 1486.89 g/mol, XLogP of 16.92, 23 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 158622722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).