3-(1,1-dioxothian-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(3-methoxypropoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine

C77H80N20O9S — CID 157300720

About 3-(1,1-dioxothian-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(3-methoxypropoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine

3-(1,1-dioxothian-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(3-methoxypropoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (PubChem CID 157300720) has the molecular formula C77H80N20O9S and a molecular weight of 1461.68 g/mol. Its IUPAC name is 3-(1,1-dioxothian-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(3-methoxypropoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.

Molecular Properties

• Compound Name: 3-(1,1-dioxothian-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(3-methoxypropoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
• PubChem CID: 157300720
• Molecular Formula: C77H80N20O9S
• Molecular Weight: 1461.68 g/mol
• Exact Mass: 1460.61
• IUPAC Name: 3-(1,1-dioxothian-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(3-methoxypropoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
• SMILES: COCCCOc1nn(C)c2cc(NC3=NCc4cccnc43)ccc12.Cn1nc(OC2CCOC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OC2CCS(=O)(=O)CC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCC2COC2)c2ccc(NC3=NCc4cccnc43)cc21
• InChI: InChI=1S/C20H21N5O3S.2C19H19N5O2.C19H21N5O2/c1-25-17-11-14(23-19-18-13(12-22-19)3-2-8-21-18)4-5-16(17)20(24-25)28-15-6-9-29(26,27)10-7-15;1-24-16-9-13(22-18-17-12(10-21-18)3-2-7-20-17)4-5-15(16)19(23-24)26-14-6-8-25-11-14;1-24-16-7-14(22-18-17-13(8-21-18)3-2-6-20-17)4-5-15(16)19(23-24)26-11-12-9-25-10-12;1-24-16-11-14(22-18-17-13(12-21-18)5-3-8-20-17)6-7-15(16)19(23-24)26-10-4-9-25-2/h2-5,8,11,15H,6-7,9-10,12H2,1H3,(H,22,23);2-5,7,9,14H,6,8,10-11H2,1H3,(H,21,22);2-7,12H,8-11H2,1H3,(H,21,22);3,5-8,11H,4,9-10,12H2,1-2H3,(H,21,22)
• InChIKey: BBWDUZDIROFRQF-UHFFFAOYSA-N
• XLogP: 9.93
• TPSA: 319.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 16
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1461.68
LogP ≤ 5	9.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothian-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(3-methoxypropoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?

The IUPAC name of 3-(1,1-dioxothian-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(3-methoxypropoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (CID 157300720) is 3-(1,1-dioxothian-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(3-methoxypropoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.

What is the SMILES notation for 3-(1,1-dioxothian-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(3-methoxypropoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?

The canonical SMILES for 3-(1,1-dioxothian-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(3-methoxypropoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is COCCCOc1nn(C)c2cc(NC3=NCc4cccnc43)ccc12.Cn1nc(OC2CCOC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OC2CCS(=O)(=O)CC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCC2COC2)c2ccc(NC3=NCc4cccnc43)cc21.

What is the InChIKey of 3-(1,1-dioxothian-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(3-methoxypropoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?

The InChIKey is BBWDUZDIROFRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S.2C19H19N5O2.C19H21N5O2/c1-25-17-11-14(23-19-18-13(12-22-19)3-2-8-21-18)4-5-16(17)20(24-25)28-15-6-9-29(26,27)10-7-15;1-24-16-9-13(22-18-17-12(10-21-18)3-2-7-20-17)4-5-15(16)19(23-24)26-14-6-8-25-11-14;1-24-16-7-14(22-18-17-13(8-21-18)3-2-6-20-17)4-5-15(16)19(23-24)26-11-12-9-25-10-12;1-24-16-11-14(22-18-17-13(12-21-18)5-3-8-20-17)6-7-15(16)19(23-24)26-10-4-9-25-2/h2-5,8,11,15H,6-7,9-10,12H2,1H3,(H,22,23);2-5,7,9,14H,6,8,10-11H2,1H3,(H,21,22);2-7,12H,8-11H2,1H3,(H,21,22);3,5-8,11H,4,9-10,12H2,1-2H3,(H,21,22).

What are the key properties of 3-(1,1-dioxothian-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(3-methoxypropoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?

3-(1,1-dioxothian-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(3-methoxypropoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine has a molecular weight of 1461.68 g/mol, XLogP of 9.93, 16 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,1-dioxothian-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(3-methoxypropoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is sourced from PubChem (CID 157300720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).