3-cyclopentyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclopentyloxy-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine

C₉₈H₁₀₃N₂₅O₁₀ — CID 158621948

About 3-cyclopentyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclopentyloxy-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine

3-cyclopentyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclopentyloxy-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine (PubChem CID 158621948) has the molecular formula C₉₈H₁₀₃N₂₅O₁₀ and a molecular weight of 1791.07 g/mol. Its IUPAC name is 3-cyclopentyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclopentyloxy-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine.

Molecular Properties

• Compound Name: 3-cyclopentyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclopentyloxy-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine
• PubChem CID: 158621948
• Molecular Formula: C₉₈H₁₀₃N₂₅O₁₀
• Molecular Weight: 1791.07 g/mol
• Exact Mass: 1789.83
• IUPAC Name: 3-cyclopentyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclopentyloxy-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine
• SMILES: COCCOc1nn(C)c2cc(NC3=NCc4ncccc43)ccc12.Cn1nc(OC2CCCC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OC2CCCC2)c2ccc(NC3=NCc4ncccc43)cc21.Cn1nc(OCC2COCCO2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCC2COCCO2)c2ccc(NC3=NCc4ncccc43)cc21
• InChI: InChI=1S/2C20H21N5O3.2C20H21N5O.C18H19N5O2/c1-25-18-9-13(23-19-15-3-2-6-21-17(15)10-22-19)4-5-16(18)20(24-25)28-12-14-11-26-7-8-27-14;1-25-17-9-14(23-19-18-13(10-22-19)3-2-6-21-18)4-5-16(17)20(24-25)28-12-15-11-26-7-8-27-15;1-25-17-11-14(23-19-18-13(12-22-19)5-4-10-21-18)8-9-16(17)20(24-25)26-15-6-2-3-7-15;1-25-18-11-13(23-19-15-7-4-10-21-17(15)12-22-19)8-9-16(18)20(24-25)26-14-5-2-3-6-14;1-23-16-10-12(5-6-14(16)18(22-23)25-9-8-24-2)21-17-13-4-3-7-19-15(13)11-20-17/h2-6,9,14H,7-8,10-12H2,1H3,(H,22,23);2-6,9,15H,7-8,10-12H2,1H3,(H,22,23);4-5,8-11,15H,2-3,6-7,12H2,1H3,(H,22,23);4,7-11,14H,2-3,5-6,12H2,1H3,(H,22,23);3-7,10H,8-9,11H2,1-2H3,(H,20,21)
• InChIKey: HYCMMPBNWNVLKB-UHFFFAOYSA-N
• XLogP: 13.96
• TPSA: 367.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 19
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1791.07
LogP ≤ 5	13.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclopentyloxy-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine?

The IUPAC name of 3-cyclopentyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclopentyloxy-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine (CID 158621948) is 3-cyclopentyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclopentyloxy-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine.

What is the SMILES notation for 3-cyclopentyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclopentyloxy-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine?

The canonical SMILES for 3-cyclopentyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclopentyloxy-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine is COCCOc1nn(C)c2cc(NC3=NCc4ncccc43)ccc12.Cn1nc(OC2CCCC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OC2CCCC2)c2ccc(NC3=NCc4ncccc43)cc21.Cn1nc(OCC2COCCO2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCC2COCCO2)c2ccc(NC3=NCc4ncccc43)cc21.

What is the InChIKey of 3-cyclopentyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclopentyloxy-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine?

The InChIKey is HYCMMPBNWNVLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H21N5O3.2C20H21N5O.C18H19N5O2/c1-25-18-9-13(23-19-15-3-2-6-21-17(15)10-22-19)4-5-16(18)20(24-25)28-12-14-11-26-7-8-27-14;1-25-17-9-14(23-19-18-13(10-22-19)3-2-6-21-18)4-5-16(17)20(24-25)28-12-15-11-26-7-8-27-15;1-25-17-11-14(23-19-18-13(12-22-19)5-4-10-21-18)8-9-16(17)20(24-25)26-15-6-2-3-7-15;1-25-18-11-13(23-19-15-7-4-10-21-17(15)12-22-19)8-9-16(18)20(24-25)26-14-5-2-3-6-14;1-23-16-10-12(5-6-14(16)18(22-23)25-9-8-24-2)21-17-13-4-3-7-19-15(13)11-20-17/h2-6,9,14H,7-8,10-12H2,1H3,(H,22,23);2-6,9,15H,7-8,10-12H2,1H3,(H,22,23);4-5,8-11,15H,2-3,6-7,12H2,1H3,(H,22,23);4,7-11,14H,2-3,5-6,12H2,1H3,(H,22,23);3-7,10H,8-9,11H2,1-2H3,(H,20,21).

What are the key properties of 3-cyclopentyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclopentyloxy-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine?

3-cyclopentyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclopentyloxy-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine has a molecular weight of 1791.07 g/mol, XLogP of 13.96, 19 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclopentyloxy-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine is sourced from PubChem (CID 158621948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158621948 — identifiers, structure, computed properties (public domain)

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