3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-[2-(4-methylphenoxy)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(2-morpholin-4-ylethoxy)indol-6-yl]-5H-pyrrolo[3,4-b]pyridin-7-amine;1-methyl-3-(oxan-4-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;6-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile

C131H122FN33O10 — CID 159273360

About 3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-[2-(4-methylphenoxy)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(2-morpholin-4-ylethoxy)indol-6-yl]-5H-pyrrolo[3,4-b]pyridin-7-amine;1-methyl-3-(oxan-4-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;6-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile

3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-[2-(4-methylphenoxy)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(2-morpholin-4-ylethoxy)indol-6-yl]-5H-pyrrolo[3,4-b]pyridin-7-amine;1-methyl-3-(oxan-4-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;6-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile (PubChem CID 159273360) has the molecular formula C131H122FN33O10 and a molecular weight of 2337.64 g/mol. Its IUPAC name is 3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-[2-(4-methylphenoxy)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(2-morpholin-4-ylethoxy)indol-6-yl]-5H-pyrrolo[3,4-b]pyridin-7-amine;1-methyl-3-(oxan-4-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;6-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-[2-(4-methylphenoxy)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(2-morpholin-4-ylethoxy)indol-6-yl]-5H-pyrrolo[3,4-b]pyridin-7-amine;1-methyl-3-(oxan-4-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;6-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile
• PubChem CID: 159273360
• Molecular Formula: C131H122FN33O10
• Molecular Weight: 2337.64 g/mol
• Exact Mass: 2336.00
• IUPAC Name: 3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-[2-(4-methylphenoxy)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(2-morpholin-4-ylethoxy)indol-6-yl]-5H-pyrrolo[3,4-b]pyridin-7-amine;1-methyl-3-(oxan-4-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;6-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile
• SMILES: Cc1ccc(OCCOc2nn(C)c3cc(NC4=NCc5cccnc54)ccc23)cc1.Cn1cc(OCCN2CCOCC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OC2CCOCC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCCOc2ccccc2F)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCc2ccccn2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(Oc2cccc(C#N)n2)c2ccc(NC3=NCc4cccnc43)cc21
• InChI: InChI=1S/C24H23N5O2.C23H20FN5O2.C22H25N5O2.C21H15N7O.C21H18N6O.C20H21N5O2/c1-16-5-8-19(9-6-16)30-12-13-31-24-20-10-7-18(14-21(20)29(2)28-24)27-23-22-17(15-26-23)4-3-11-25-22;1-29-19-13-16(27-22-21-15(14-26-22)5-4-10-25-21)8-9-17(19)23(28-29)31-12-11-30-20-7-3-2-6-18(20)24;1-26-15-20(29-12-9-27-7-10-28-11-8-27)18-5-4-17(13-19(18)26)25-22-21-16(14-24-22)3-2-6-23-21;1-28-17-10-14(26-20-19-13(12-24-20)4-3-9-23-19)7-8-16(17)21(27-28)29-18-6-2-5-15(11-22)25-18;1-27-18-11-15(25-20-19-14(12-24-20)5-4-10-23-19)7-8-17(18)21(26-27)28-13-16-6-2-3-9-22-16;1-25-17-11-14(23-19-18-13(12-22-19)3-2-8-21-18)4-5-16(17)20(24-25)27-15-6-9-26-10-7-15/h3-11,14H,12-13,15H2,1-2H3,(H,26,27);2-10,13H,11-12,14H2,1H3,(H,26,27);2-6,13,15H,7-12,14H2,1H3,(H,24,25);2-10H,12H2,1H3,(H,24,26);2-11H,12-13H2,1H3,(H,24,25);2-5,8,11,15H,6-7,9-10,12H2,1H3,(H,22,23)
• InChIKey: KXZJFBBHJJBGRC-UHFFFAOYSA-N
• XLogP: 20.31
• TPSA: 462.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 43
• Rotatable Bonds: 27
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2337.64
LogP ≤ 5	20.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-[2-(4-methylphenoxy)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(2-morpholin-4-ylethoxy)indol-6-yl]-5H-pyrrolo[3,4-b]pyridin-7-amine;1-methyl-3-(oxan-4-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;6-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile?

The IUPAC name of 3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-[2-(4-methylphenoxy)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(2-morpholin-4-ylethoxy)indol-6-yl]-5H-pyrrolo[3,4-b]pyridin-7-amine;1-methyl-3-(oxan-4-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;6-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile (CID 159273360) is 3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-[2-(4-methylphenoxy)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(2-morpholin-4-ylethoxy)indol-6-yl]-5H-pyrrolo[3,4-b]pyridin-7-amine;1-methyl-3-(oxan-4-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;6-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile.

What is the SMILES notation for 3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-[2-(4-methylphenoxy)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(2-morpholin-4-ylethoxy)indol-6-yl]-5H-pyrrolo[3,4-b]pyridin-7-amine;1-methyl-3-(oxan-4-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;6-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile?

The canonical SMILES for 3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-[2-(4-methylphenoxy)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(2-morpholin-4-ylethoxy)indol-6-yl]-5H-pyrrolo[3,4-b]pyridin-7-amine;1-methyl-3-(oxan-4-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;6-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile is Cc1ccc(OCCOc2nn(C)c3cc(NC4=NCc5cccnc54)ccc23)cc1.Cn1cc(OCCN2CCOCC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OC2CCOCC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCCOc2ccccc2F)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCc2ccccn2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(Oc2cccc(C#N)n2)c2ccc(NC3=NCc4cccnc43)cc21.

What is the InChIKey of 3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-[2-(4-methylphenoxy)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(2-morpholin-4-ylethoxy)indol-6-yl]-5H-pyrrolo[3,4-b]pyridin-7-amine;1-methyl-3-(oxan-4-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;6-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile?

The InChIKey is KXZJFBBHJJBGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2.C23H20FN5O2.C22H25N5O2.C21H15N7O.C21H18N6O.C20H21N5O2/c1-16-5-8-19(9-6-16)30-12-13-31-24-20-10-7-18(14-21(20)29(2)28-24)27-23-22-17(15-26-23)4-3-11-25-22;1-29-19-13-16(27-22-21-15(14-26-22)5-4-10-25-21)8-9-17(19)23(28-29)31-12-11-30-20-7-3-2-6-18(20)24;1-26-15-20(29-12-9-27-7-10-28-11-8-27)18-5-4-17(13-19(18)26)25-22-21-16(14-24-22)3-2-6-23-21;1-28-17-10-14(26-20-19-13(12-24-20)4-3-9-23-19)7-8-16(17)21(27-28)29-18-6-2-5-15(11-22)25-18;1-27-18-11-15(25-20-19-14(12-24-20)5-4-10-23-19)7-8-17(18)21(26-27)28-13-16-6-2-3-9-22-16;1-25-17-11-14(23-19-18-13(12-22-19)3-2-8-21-18)4-5-16(17)20(24-25)27-15-6-9-26-10-7-15/h3-11,14H,12-13,15H2,1-2H3,(H,26,27);2-10,13H,11-12,14H2,1H3,(H,26,27);2-6,13,15H,7-12,14H2,1H3,(H,24,25);2-10H,12H2,1H3,(H,24,26);2-11H,12-13H2,1H3,(H,24,25);2-5,8,11,15H,6-7,9-10,12H2,1H3,(H,22,23).

What are the key properties of 3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-[2-(4-methylphenoxy)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(2-morpholin-4-ylethoxy)indol-6-yl]-5H-pyrrolo[3,4-b]pyridin-7-amine;1-methyl-3-(oxan-4-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;6-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile?

3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-[2-(4-methylphenoxy)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(2-morpholin-4-ylethoxy)indol-6-yl]-5H-pyrrolo[3,4-b]pyridin-7-amine;1-methyl-3-(oxan-4-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;6-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile has a molecular weight of 2337.64 g/mol, XLogP of 20.31, 27 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-[2-(4-methylphenoxy)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(2-morpholin-4-ylethoxy)indol-6-yl]-5H-pyrrolo[3,4-b]pyridin-7-amine;1-methyl-3-(oxan-4-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;6-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile is sourced from PubChem (CID 159273360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).