4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-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;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

C76H67Cl2N21O6 — CID 159719359

About 4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-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;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

4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-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;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 159719359) has the molecular formula C76H67Cl2N21O6 and a molecular weight of 1441.42 g/mol. Its IUPAC name is 4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-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;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: 4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-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;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: 159719359
• Molecular Formula: C76H67Cl2N21O6
• Molecular Weight: 1441.42 g/mol
• Exact Mass: 1439.50
• IUPAC Name: 4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-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;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: C#Cc1ccc(Oc2nn(C)c3cc(NC4=NCc5cccnc54)cc(Cl)c23)nc1.COc1nn(C)c2cc(NC3=NCc4cccnc43)cc(Cl)c12.Cn1nc(OC2CCOC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCC2COC2)c2ccc(NC3=NCc4cccnc43)cc21
• InChI: InChI=1S/C22H15ClN6O.2C19H19N5O2.C16H14ClN5O/c1-3-13-6-7-18(25-11-13)30-22-19-16(23)9-15(10-17(19)29(2)28-22)27-21-20-14(12-26-21)5-4-8-24-20;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;1-22-12-7-10(6-11(17)13(12)16(21-22)23-2)20-15-14-9(8-19-15)4-3-5-18-14/h1,4-11H,12H2,2H3,(H,26,27);2-5,7,9,14H,6,8,10-11H2,1H3,(H,21,22);2-7,12H,8-11H2,1H3,(H,21,22);3-7H,8H2,1-2H3,(H,19,20)
• InChIKey: MZVILHPABBHKBN-UHFFFAOYSA-N
• XLogP: 12.04
• TPSA: 288.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 12
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1441.42
LogP ≤ 5	12.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-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;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 4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-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;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 159719359) is 4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-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;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 4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-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;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 4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-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;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 C#Cc1ccc(Oc2nn(C)c3cc(NC4=NCc5cccnc54)cc(Cl)c23)nc1.COc1nn(C)c2cc(NC3=NCc4cccnc43)cc(Cl)c12.Cn1nc(OC2CCOC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCC2COC2)c2ccc(NC3=NCc4cccnc43)cc21.

What is the InChIKey of 4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-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;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 MZVILHPABBHKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN6O.2C19H19N5O2.C16H14ClN5O/c1-3-13-6-7-18(25-11-13)30-22-19-16(23)9-15(10-17(19)29(2)28-22)27-21-20-14(12-26-21)5-4-8-24-20;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;1-22-12-7-10(6-11(17)13(12)16(21-22)23-2)20-15-14-9(8-19-15)4-3-5-18-14/h1,4-11H,12H2,2H3,(H,26,27);2-5,7,9,14H,6,8,10-11H2,1H3,(H,21,22);2-7,12H,8-11H2,1H3,(H,21,22);3-7H,8H2,1-2H3,(H,19,20).

What are the key properties of 4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-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;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?

4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-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;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 1441.42 g/mol, XLogP of 12.04, 12 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-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;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 159719359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).