4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclobutyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine

C80H87ClN22O6 — CID 160820985

About 4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclobutyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine

4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclobutyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (PubChem CID 160820985) has the molecular formula C80H87ClN22O6 and a molecular weight of 1488.18 g/mol. Its IUPAC name is 4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclobutyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.

Molecular Properties

• Compound Name: 4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclobutyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
• PubChem CID: 160820985
• Molecular Formula: C80H87ClN22O6
• Molecular Weight: 1488.18 g/mol
• Exact Mass: 1486.69
• IUPAC Name: 4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclobutyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
• SMILES: COCCOc1nn(C)c2cc(NC3=NCc4cccnc43)ccc12.Cn1nc(OC2CCC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCCN2CCCCC2)c2c(Cl)cc(NC3=NCc4cccnc43)cc21.Cn1nc(OCCN2CCOCC2)c2ccc(NC3=NCc4cccnc43)cc21
• InChI: InChI=1S/C22H25ClN6O.C21H24N6O2.C19H19N5O.C18H19N5O2/c1-28-18-13-16(26-21-20-15(14-25-21)6-5-7-24-20)12-17(23)19(18)22(27-28)30-11-10-29-8-3-2-4-9-29;1-26-18-13-16(24-20-19-15(14-23-20)3-2-6-22-19)4-5-17(18)21(25-26)29-12-9-27-7-10-28-11-8-27;1-24-16-10-13(22-18-17-12(11-21-18)4-3-9-20-17)7-8-15(16)19(23-24)25-14-5-2-6-14;1-23-15-10-13(5-6-14(15)18(22-23)25-9-8-24-2)21-17-16-12(11-20-17)4-3-7-19-16/h5-7,12-13H,2-4,8-11,14H2,1H3,(H,25,26);2-6,13H,7-12,14H2,1H3,(H,23,24);3-4,7-10,14H,2,5-6,11H2,1H3,(H,21,22);3-7,10H,8-9,11H2,1-2H3,(H,20,21)
• InChIKey: SFNWXNNUMNCKFE-UHFFFAOYSA-N
• XLogP: 11.55
• TPSA: 282.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1488.18
LogP ≤ 5	11.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclobutyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?

The IUPAC name of 4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclobutyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (CID 160820985) is 4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclobutyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.

What is the SMILES notation for 4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclobutyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?

The canonical SMILES for 4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclobutyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is COCCOc1nn(C)c2cc(NC3=NCc4cccnc43)ccc12.Cn1nc(OC2CCC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCCN2CCCCC2)c2c(Cl)cc(NC3=NCc4cccnc43)cc21.Cn1nc(OCCN2CCOCC2)c2ccc(NC3=NCc4cccnc43)cc21.

What is the InChIKey of 4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclobutyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?

The InChIKey is SFNWXNNUMNCKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O.C21H24N6O2.C19H19N5O.C18H19N5O2/c1-28-18-13-16(26-21-20-15(14-25-21)6-5-7-24-20)12-17(23)19(18)22(27-28)30-11-10-29-8-3-2-4-9-29;1-26-18-13-16(24-20-19-15(14-23-20)3-2-6-22-19)4-5-17(18)21(25-26)29-12-9-27-7-10-28-11-8-27;1-24-16-10-13(22-18-17-12(11-21-18)4-3-9-20-17)7-8-15(16)19(23-24)25-14-5-2-6-14;1-23-15-10-13(5-6-14(15)18(22-23)25-9-8-24-2)21-17-16-12(11-20-17)4-3-7-19-16/h5-7,12-13H,2-4,8-11,14H2,1H3,(H,25,26);2-6,13H,7-12,14H2,1H3,(H,23,24);3-4,7-10,14H,2,5-6,11H2,1H3,(H,21,22);3-7,10H,8-9,11H2,1-2H3,(H,20,21).

What are the key properties of 4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclobutyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?

4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclobutyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine has a molecular weight of 1488.18 g/mol, XLogP of 11.55, 18 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclobutyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is sourced from PubChem (CID 160820985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).