4-chloro-3-(4-ethynylphenoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;4-chloro-3-methoxy-1-methyl-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-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine

C97H91Cl3N26O7 — CID 159030930

About 4-chloro-3-(4-ethynylphenoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;4-chloro-3-methoxy-1-methyl-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-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine

4-chloro-3-(4-ethynylphenoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;4-chloro-3-methoxy-1-methyl-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-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (PubChem CID 159030930) has the molecular formula C97H91Cl3N26O7 and a molecular weight of 1839.33 g/mol. Its IUPAC name is 4-chloro-3-(4-ethynylphenoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;4-chloro-3-methoxy-1-methyl-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-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.

Molecular Properties

• Compound Name: 4-chloro-3-(4-ethynylphenoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;4-chloro-3-methoxy-1-methyl-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-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
• PubChem CID: 159030930
• Molecular Formula: C97H91Cl3N26O7
• Molecular Weight: 1839.33 g/mol
• Exact Mass: 1836.66
• IUPAC Name: 4-chloro-3-(4-ethynylphenoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;4-chloro-3-methoxy-1-methyl-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-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
• SMILES: C#Cc1ccc(Oc2nn(C)c3cc(NC4=NCc5cccnc54)cc(Cl)c23)cc1.COCCOc1nn(C)c2cc(NC3=NCc4cccnc43)ccc12.COc1nn(C)c2cc(NC3=NCc4cccnc43)cc(Cl)c12.Cn1nc(OC2COC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCCN2CCCCC2)c2c(Cl)cc(NC3=NCc4cccnc43)cc21
• InChI: InChI=1S/C23H16ClN5O.C22H25ClN6O.C18H17N5O2.C18H19N5O2.C16H14ClN5O/c1-3-14-6-8-17(9-7-14)30-23-20-18(24)11-16(12-19(20)29(2)28-23)27-22-21-15(13-26-22)5-4-10-25-21;1-28-18-13-16(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;1-23-15-7-12(21-17-16-11(8-20-17)3-2-6-19-16)4-5-14(15)18(22-23)25-13-9-24-10-13;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;1-22-12-7-10(6-11(17)13(12)16(21-22)23-2)20-15-14-9(8-19-15)4-3-5-18-14/h1,4-12H,13H2,2H3,(H,26,27);5-7,12-13H,2-4,8-11,14H2,1H3,(H,25,26);2-7,13H,8-10H2,1H3,(H,20,21);3-7,10H,8-9,11H2,1-2H3,(H,20,21);3-7H,8H2,1-2H3,(H,19,20)
• InChIKey: JUWJSXLANMARLZ-UHFFFAOYSA-N
• XLogP: 16.11
• TPSA: 343.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 18
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1839.33
LogP ≤ 5	16.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-chloro-3-(4-ethynylphenoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;4-chloro-3-methoxy-1-methyl-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-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (CID 159030930) is 4-chloro-3-(4-ethynylphenoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;4-chloro-3-methoxy-1-methyl-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-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.

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

The canonical SMILES for 4-chloro-3-(4-ethynylphenoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;4-chloro-3-methoxy-1-methyl-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-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is C#Cc1ccc(Oc2nn(C)c3cc(NC4=NCc5cccnc54)cc(Cl)c23)cc1.COCCOc1nn(C)c2cc(NC3=NCc4cccnc43)ccc12.COc1nn(C)c2cc(NC3=NCc4cccnc43)cc(Cl)c12.Cn1nc(OC2COC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCCN2CCCCC2)c2c(Cl)cc(NC3=NCc4cccnc43)cc21.

What is the InChIKey of 4-chloro-3-(4-ethynylphenoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;4-chloro-3-methoxy-1-methyl-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-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?

The InChIKey is JUWJSXLANMARLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O.C22H25ClN6O.C18H17N5O2.C18H19N5O2.C16H14ClN5O/c1-3-14-6-8-17(9-7-14)30-23-20-18(24)11-16(12-19(20)29(2)28-23)27-22-21-15(13-26-22)5-4-10-25-21;1-28-18-13-16(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;1-23-15-7-12(21-17-16-11(8-20-17)3-2-6-19-16)4-5-14(15)18(22-23)25-13-9-24-10-13;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;1-22-12-7-10(6-11(17)13(12)16(21-22)23-2)20-15-14-9(8-19-15)4-3-5-18-14/h1,4-12H,13H2,2H3,(H,26,27);5-7,12-13H,2-4,8-11,14H2,1H3,(H,25,26);2-7,13H,8-10H2,1H3,(H,20,21);3-7,10H,8-9,11H2,1-2H3,(H,20,21);3-7H,8H2,1-2H3,(H,19,20).

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

4-chloro-3-(4-ethynylphenoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;4-chloro-3-methoxy-1-methyl-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-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine has a molecular weight of 1839.33 g/mol, XLogP of 16.11, 18 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-(4-ethynylphenoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;4-chloro-3-methoxy-1-methyl-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-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is sourced from PubChem (CID 159030930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).