1-[2-(dimethylamino)ethoxy]-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(7-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(oxan-2-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-2-yl]ethanone

C139H132N32O8 — CID 158393241

About 1-[2-(dimethylamino)ethoxy]-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(7-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(oxan-2-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-2-yl]ethanone

1-[2-(dimethylamino)ethoxy]-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(7-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(oxan-2-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-2-yl]ethanone (PubChem CID 158393241) has the molecular formula C139H132N32O8 and a molecular weight of 2378.80 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethoxy]-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(7-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(oxan-2-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-(dimethylamino)ethoxy]-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(7-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(oxan-2-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-2-yl]ethanone
• PubChem CID: 158393241
• Molecular Formula: C139H132N32O8
• Molecular Weight: 2378.80 g/mol
• Exact Mass: 2377.09
• IUPAC Name: 1-[2-(dimethylamino)ethoxy]-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(7-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(oxan-2-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-2-yl]ethanone
• SMILES: C#Cc1ccc2ccc(Nc3n[nH]c4cccnc34)cc2c1.CC(=O)c1ccc2ccc(Nc3n[nH]c4cccnc34)cc2c1.CC(C)(C)COc1nccc2cc(NC3=NCc4cccnc43)ccc12.CN(C)CCOc1nccc2cc(NC3=NCc4cccnc43)ccc12.CN(C)CCOc1nccc2cc(NC3=NCc4nccnc43)ccc12.c1cnc2c(c1)CN=C2Nc1ccc2c(OCC3CCCCO3)nccc2c1.c1cnc2c(n1)CN=C2Nc1ccc2c(OCC3CCCCO3)nccc2c1
• InChI: InChI=1S/C22H22N4O2.C21H21N5O2.C21H22N4O.C20H21N5O.C19H20N6O.C18H14N4O.C18H12N4/c1-2-11-27-18(5-1)14-28-22-19-7-6-17(12-15(19)8-10-24-22)26-21-20-16(13-25-21)4-3-9-23-20;1-2-10-27-16(3-1)13-28-21-17-5-4-15(11-14(17)6-7-24-21)26-20-19-18(12-25-20)22-8-9-23-19;1-21(2,3)13-26-20-17-7-6-16(11-14(17)8-10-23-20)25-19-18-15(12-24-19)5-4-9-22-18;1-25(2)10-11-26-20-17-6-5-16(12-14(17)7-9-22-20)24-19-18-15(13-23-19)4-3-8-21-18;1-25(2)9-10-26-19-15-4-3-14(11-13(15)5-6-22-19)24-18-17-16(12-23-18)20-7-8-21-17;1-11(23)13-5-4-12-6-7-15(10-14(12)9-13)20-18-17-16(21-22-18)3-2-8-19-17;1-2-12-5-6-13-7-8-15(11-14(13)10-12)20-18-17-16(21-22-18)4-3-9-19-17/h3-4,6-10,12,18H,1-2,5,11,13-14H2,(H,25,26);4-9,11,16H,1-3,10,12-13H2,(H,25,26);4-11H,12-13H2,1-3H3,(H,24,25);3-9,12H,10-11,13H2,1-2H3,(H,23,24);3-8,11H,9-10,12H2,1-2H3,(H,23,24);2-10H,1H3,(H2,20,21,22);1,3-11H,(H2,20,21,22)
• InChIKey: GXFOOYVGYSEYEV-UHFFFAOYSA-N
• XLogP: 24.90
• TPSA: 471.99 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 26
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2378.80
LogP ≤ 5	24.90
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethoxy]-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(7-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(oxan-2-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-2-yl]ethanone?

The IUPAC name of 1-[2-(dimethylamino)ethoxy]-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(7-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(oxan-2-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-2-yl]ethanone (CID 158393241) is 1-[2-(dimethylamino)ethoxy]-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(7-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(oxan-2-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-2-yl]ethanone.

What is the SMILES notation for 1-[2-(dimethylamino)ethoxy]-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(7-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(oxan-2-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-2-yl]ethanone?

The canonical SMILES for 1-[2-(dimethylamino)ethoxy]-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(7-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(oxan-2-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-2-yl]ethanone is C#Cc1ccc2ccc(Nc3n[nH]c4cccnc34)cc2c1.CC(=O)c1ccc2ccc(Nc3n[nH]c4cccnc34)cc2c1.CC(C)(C)COc1nccc2cc(NC3=NCc4cccnc43)ccc12.CN(C)CCOc1nccc2cc(NC3=NCc4cccnc43)ccc12.CN(C)CCOc1nccc2cc(NC3=NCc4nccnc43)ccc12.c1cnc2c(c1)CN=C2Nc1ccc2c(OCC3CCCCO3)nccc2c1.c1cnc2c(n1)CN=C2Nc1ccc2c(OCC3CCCCO3)nccc2c1.

What is the InChIKey of 1-[2-(dimethylamino)ethoxy]-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(7-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(oxan-2-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-2-yl]ethanone?

The InChIKey is GXFOOYVGYSEYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2.C21H21N5O2.C21H22N4O.C20H21N5O.C19H20N6O.C18H14N4O.C18H12N4/c1-2-11-27-18(5-1)14-28-22-19-7-6-17(12-15(19)8-10-24-22)26-21-20-16(13-25-21)4-3-9-23-20;1-2-10-27-16(3-1)13-28-21-17-5-4-15(11-14(17)6-7-24-21)26-20-19-18(12-25-20)22-8-9-23-19;1-21(2,3)13-26-20-17-7-6-16(11-14(17)8-10-23-20)25-19-18-15(12-24-19)5-4-9-22-18;1-25(2)10-11-26-20-17-6-5-16(12-14(17)7-9-22-20)24-19-18-15(13-23-19)4-3-8-21-18;1-25(2)9-10-26-19-15-4-3-14(11-13(15)5-6-22-19)24-18-17-16(12-23-18)20-7-8-21-17;1-11(23)13-5-4-12-6-7-15(10-14(12)9-13)20-18-17-16(21-22-18)3-2-8-19-17;1-2-12-5-6-13-7-8-15(11-14(13)10-12)20-18-17-16(21-22-18)4-3-9-19-17/h3-4,6-10,12,18H,1-2,5,11,13-14H2,(H,25,26);4-9,11,16H,1-3,10,12-13H2,(H,25,26);4-11H,12-13H2,1-3H3,(H,24,25);3-9,12H,10-11,13H2,1-2H3,(H,23,24);3-8,11H,9-10,12H2,1-2H3,(H,23,24);2-10H,1H3,(H2,20,21,22);1,3-11H,(H2,20,21,22).

What are the key properties of 1-[2-(dimethylamino)ethoxy]-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(7-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(oxan-2-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-2-yl]ethanone?

1-[2-(dimethylamino)ethoxy]-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(7-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(oxan-2-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-2-yl]ethanone has a molecular weight of 2378.80 g/mol, XLogP of 24.90, 26 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(dimethylamino)ethoxy]-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-[2-(dimethylamino)ethoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(2,2-dimethylpropoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(7-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(oxan-2-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyrazin-5-yl)isoquinolin-6-amine;1-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-2-yl]ethanone is sourced from PubChem (CID 158393241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).