3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine

C82H85N19O10S — CID 159126090

About 3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine

3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine (PubChem CID 159126090) has the molecular formula C82H85N19O10S and a molecular weight of 1528.77 g/mol. Its IUPAC name is 3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine.

Molecular Properties

• Compound Name: 3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine
• PubChem CID: 159126090
• Molecular Formula: C82H85N19O10S
• Molecular Weight: 1528.77 g/mol
• Exact Mass: 1527.64
• IUPAC Name: 3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine
• SMILES: C=S1(=O)CCC(Oc2nn(C)c3cc(NC(=O)c4ccccn4)ccc23)CC1.Cn1nc(OC2CC3CCC2O3)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OC2CC3CCC2O3)c2ccc(NC3=NCc4ncccc43)cc21.Cn1nc(OCC2COCCO2)c2ccc(NC3=NCc4ncccc43)cc21
• InChI: InChI=1S/2C21H21N5O2.C20H21N5O3.C20H22N4O3S/c1-26-17-9-12(24-20-14-3-2-8-22-16(14)11-23-20)4-6-15(17)21(25-26)28-19-10-13-5-7-18(19)27-13;1-26-16-9-13(24-20-19-12(11-23-20)3-2-8-22-19)4-6-15(16)21(25-26)28-18-10-14-5-7-17(18)27-14;1-25-18-9-13(23-19-15-3-2-6-21-17(15)10-22-19)4-5-16(18)20(24-25)28-12-14-11-26-7-8-27-14;1-24-18-13-14(22-19(25)17-5-3-4-10-21-17)6-7-16(18)20(23-24)27-15-8-11-28(2,26)12-9-15/h2-4,6,8-9,13,18-19H,5,7,10-11H2,1H3,(H,23,24);2-4,6,8-9,14,17-18H,5,7,10-11H2,1H3,(H,23,24);2-6,9,14H,7-8,10-12H2,1H3,(H,22,23);3-7,10,13,15H,2,8-9,11-12H2,1H3,(H,22,25)
• InChIKey: KGHGKEILMFHWFD-UHFFFAOYSA-N
• XLogP: 10.69
• TPSA: 316.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1528.77
LogP ≤ 5	10.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine?

The IUPAC name of 3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine (CID 159126090) is 3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine.

What is the SMILES notation for 3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine?

The canonical SMILES for 3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine is C=S1(=O)CCC(Oc2nn(C)c3cc(NC(=O)c4ccccn4)ccc23)CC1.Cn1nc(OC2CC3CCC2O3)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OC2CC3CCC2O3)c2ccc(NC3=NCc4ncccc43)cc21.Cn1nc(OCC2COCCO2)c2ccc(NC3=NCc4ncccc43)cc21.

What is the InChIKey of 3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine?

The InChIKey is KGHGKEILMFHWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21N5O2.C20H21N5O3.C20H22N4O3S/c1-26-17-9-12(24-20-14-3-2-8-22-16(14)11-23-20)4-6-15(17)21(25-26)28-19-10-13-5-7-18(19)27-13;1-26-16-9-13(24-20-19-12(11-23-20)3-2-8-22-19)4-6-15(16)21(25-26)28-18-10-14-5-7-17(18)27-14;1-25-18-9-13(23-19-15-3-2-6-21-17(15)10-22-19)4-5-16(18)20(24-25)28-12-14-11-26-7-8-27-14;1-24-18-13-14(22-19(25)17-5-3-4-10-21-17)6-7-16(18)20(23-24)27-15-8-11-28(2,26)12-9-15/h2-4,6,8-9,13,18-19H,5,7,10-11H2,1H3,(H,23,24);2-4,6,8-9,14,17-18H,5,7,10-11H2,1H3,(H,23,24);2-6,9,14H,7-8,10-12H2,1H3,(H,22,23);3-7,10,13,15H,2,8-9,11-12H2,1H3,(H,22,25).

What are the key properties of 3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine?

3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine has a molecular weight of 1528.77 g/mol, XLogP of 10.69, 14 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine is sourced from PubChem (CID 159126090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).