3-(cyclopentylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(oxan-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-4-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine

C103H112N24O9S — CID 160563400

About 3-(cyclopentylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(oxan-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-4-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine

3-(cyclopentylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(oxan-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-4-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine (PubChem CID 160563400) has the molecular formula C103H112N24O9S and a molecular weight of 1862.25 g/mol. Its IUPAC name is 3-(cyclopentylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(oxan-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-4-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine.

Molecular Properties

• Compound Name: 3-(cyclopentylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(oxan-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-4-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine
• PubChem CID: 160563400
• Molecular Formula: C103H112N24O9S
• Molecular Weight: 1862.25 g/mol
• Exact Mass: 1860.88
• IUPAC Name: 3-(cyclopentylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(oxan-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-4-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine
• SMILES: C=S1(=O)CCC(Oc2nn(C)c3cc(NC(=O)c4ccccn4)ccc23)C1.Cn1nc(OCC2CCCC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCC2CCCC2)c2ccc(NC3=NCc4ncccc43)cc21.Cn1nc(OCC2CCOCC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCC2CCOCC2)c2ccc(NC3=NCc4ncccc43)cc21
• InChI: InChI=1S/2C21H23N5O2.2C21H23N5O.C19H20N4O3S/c1-26-19-11-15(24-20-16-3-2-8-22-18(16)12-23-20)4-5-17(19)21(25-26)28-13-14-6-9-27-10-7-14;1-26-18-11-16(24-20-19-15(12-23-20)3-2-8-22-19)4-5-17(18)21(25-26)28-13-14-6-9-27-10-7-14;1-26-19-11-15(24-20-16-7-4-10-22-18(16)12-23-20)8-9-17(19)21(25-26)27-13-14-5-2-3-6-14;1-26-18-11-16(24-20-19-15(12-23-20)7-4-10-22-19)8-9-17(18)21(25-26)27-13-14-5-2-3-6-14;1-23-17-11-13(21-18(24)16-5-3-4-9-20-16)6-7-15(17)19(22-23)26-14-8-10-27(2,25)12-14/h2*2-5,8,11,14H,6-7,9-10,12-13H2,1H3,(H,23,24);2*4,7-11,14H,2-3,5-6,12-13H2,1H3,(H,23,24);3-7,9,11,14H,2,8,10,12H2,1H3,(H,21,24)
• InChIKey: QZPMMPNMACNVHH-UHFFFAOYSA-N
• XLogP: 16.20
• TPSA: 361.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1862.25
LogP ≤ 5	16.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(oxan-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-4-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine?

The IUPAC name of 3-(cyclopentylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(oxan-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-4-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine (CID 160563400) is 3-(cyclopentylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(oxan-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-4-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine.

What is the SMILES notation for 3-(cyclopentylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(oxan-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-4-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine?

The canonical SMILES for 3-(cyclopentylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(oxan-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-4-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine is C=S1(=O)CCC(Oc2nn(C)c3cc(NC(=O)c4ccccn4)ccc23)C1.Cn1nc(OCC2CCCC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCC2CCCC2)c2ccc(NC3=NCc4ncccc43)cc21.Cn1nc(OCC2CCOCC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCC2CCOCC2)c2ccc(NC3=NCc4ncccc43)cc21.

What is the InChIKey of 3-(cyclopentylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(oxan-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-4-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine?

The InChIKey is QZPMMPNMACNVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H23N5O2.2C21H23N5O.C19H20N4O3S/c1-26-19-11-15(24-20-16-3-2-8-22-18(16)12-23-20)4-5-17(19)21(25-26)28-13-14-6-9-27-10-7-14;1-26-18-11-16(24-20-19-15(12-23-20)3-2-8-22-19)4-5-17(18)21(25-26)28-13-14-6-9-27-10-7-14;1-26-19-11-15(24-20-16-7-4-10-22-18(16)12-23-20)8-9-17(19)21(25-26)27-13-14-5-2-3-6-14;1-26-18-11-16(24-20-19-15(12-23-20)7-4-10-22-19)8-9-17(18)21(25-26)27-13-14-5-2-3-6-14;1-23-17-11-13(21-18(24)16-5-3-4-9-20-16)6-7-15(17)19(22-23)26-14-8-10-27(2,25)12-14/h2*2-5,8,11,14H,6-7,9-10,12-13H2,1H3,(H,23,24);2*4,7-11,14H,2-3,5-6,12-13H2,1H3,(H,23,24);3-7,9,11,14H,2,8,10,12H2,1H3,(H,21,24).

What are the key properties of 3-(cyclopentylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(oxan-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-4-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine?

3-(cyclopentylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(oxan-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-4-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine has a molecular weight of 1862.25 g/mol, XLogP of 16.20, 20 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclopentylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;1-methyl-3-(oxan-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-4-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine is sourced from PubChem (CID 160563400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).