1-amino-3-[3-[4-[methyl(oxan-4-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-[3-[4-(heptylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(pyridin-2-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-(oxan-4-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol

C127H176N26O13 — CID 158288395

About 1-amino-3-[3-[4-[methyl(oxan-4-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-[3-[4-(heptylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(pyridin-2-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-(oxan-4-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol

1-amino-3-[3-[4-[methyl(oxan-4-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-[3-[4-(heptylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(pyridin-2-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-(oxan-4-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol (PubChem CID 158288395) has the molecular formula C127H176N26O13 and a molecular weight of 2274.97 g/mol. Its IUPAC name is 1-amino-3-[3-[4-[methyl(oxan-4-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-[3-[4-(heptylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(pyridin-2-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-(oxan-4-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-amino-3-[3-[4-[methyl(oxan-4-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-[3-[4-(heptylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(pyridin-2-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-(oxan-4-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol
• PubChem CID: 158288395
• Molecular Formula: C127H176N26O13
• Molecular Weight: 2274.97 g/mol
• Exact Mass: 2273.39
• IUPAC Name: 1-amino-3-[3-[4-[methyl(oxan-4-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-[3-[4-(heptylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(pyridin-2-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-(oxan-4-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol
• SMILES: CC(C)n1ncc2c(N(C)CC3CCOCC3)cc(-c3cccc(OCC(O)CN)c3)nc21.CCCCCCCNc1cc(-c2cccc(OCC(O)CNC)c2)nc2c1cnn2C(C)C.CNCC(O)COc1cccc(-c2cc(N(C)C3CCOCC3)c3cnn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(N(C)Cc3ccccn3)c3cnn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NCC3CCOCC3)c3cnn(C(C)C)c3n2)c1
• InChI: InChI=1S/C26H32N6O2.C26H39N5O2.3C25H35N5O3/c1-18(2)32-26-23(15-29-32)25(31(4)16-20-9-5-6-11-28-20)13-24(30-26)19-8-7-10-22(12-19)34-17-21(33)14-27-3;1-5-6-7-8-9-13-28-25-15-24(30-26-23(25)17-29-31(26)19(2)3)20-11-10-12-22(14-20)33-18-21(32)16-27-4;1-17(2)30-25-22(15-27-30)24(29(4)19-8-10-32-11-9-19)13-23(28-25)18-6-5-7-21(12-18)33-16-20(31)14-26-3;1-17(2)30-25-22(14-27-30)24(29(3)15-18-7-9-32-10-8-18)12-23(28-25)19-5-4-6-21(11-19)33-16-20(31)13-26;1-17(2)30-25-22(15-28-30)24(27-13-18-7-9-32-10-8-18)12-23(29-25)19-5-4-6-21(11-19)33-16-20(31)14-26-3/h5-13,15,18,21,27,33H,14,16-17H2,1-4H3;10-12,14-15,17,19,21,27,32H,5-9,13,16,18H2,1-4H3,(H,28,30);5-7,12-13,15,17,19-20,26,31H,8-11,14,16H2,1-4H3;4-6,11-12,14,17-18,20,31H,7-10,13,15-16,26H2,1-3H3;4-6,11-12,15,17-18,20,26,31H,7-10,13-14,16H2,1-3H3,(H,27,29)
• InChIKey: GLBHJWLXGSSWJI-UHFFFAOYSA-N
• XLogP: 18.66
• TPSA: 449.35 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 39
• Rotatable Bonds: 52
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2274.97
LogP ≤ 5	18.66
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-[4-[methyl(oxan-4-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-[3-[4-(heptylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(pyridin-2-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-(oxan-4-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol?

The IUPAC name of 1-amino-3-[3-[4-[methyl(oxan-4-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-[3-[4-(heptylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(pyridin-2-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-(oxan-4-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol (CID 158288395) is 1-amino-3-[3-[4-[methyl(oxan-4-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-[3-[4-(heptylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(pyridin-2-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-(oxan-4-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol.

What is the SMILES notation for 1-amino-3-[3-[4-[methyl(oxan-4-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-[3-[4-(heptylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(pyridin-2-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-(oxan-4-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol?

The canonical SMILES for 1-amino-3-[3-[4-[methyl(oxan-4-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-[3-[4-(heptylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(pyridin-2-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-(oxan-4-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol is CC(C)n1ncc2c(N(C)CC3CCOCC3)cc(-c3cccc(OCC(O)CN)c3)nc21.CCCCCCCNc1cc(-c2cccc(OCC(O)CNC)c2)nc2c1cnn2C(C)C.CNCC(O)COc1cccc(-c2cc(N(C)C3CCOCC3)c3cnn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(N(C)Cc3ccccn3)c3cnn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NCC3CCOCC3)c3cnn(C(C)C)c3n2)c1.

What is the InChIKey of 1-amino-3-[3-[4-[methyl(oxan-4-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-[3-[4-(heptylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(pyridin-2-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-(oxan-4-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol?

The InChIKey is GLBHJWLXGSSWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2.C26H39N5O2.3C25H35N5O3/c1-18(2)32-26-23(15-29-32)25(31(4)16-20-9-5-6-11-28-20)13-24(30-26)19-8-7-10-22(12-19)34-17-21(33)14-27-3;1-5-6-7-8-9-13-28-25-15-24(30-26-23(25)17-29-31(26)19(2)3)20-11-10-12-22(14-20)33-18-21(32)16-27-4;1-17(2)30-25-22(15-27-30)24(29(4)19-8-10-32-11-9-19)13-23(28-25)18-6-5-7-21(12-18)33-16-20(31)14-26-3;1-17(2)30-25-22(14-27-30)24(29(3)15-18-7-9-32-10-8-18)12-23(28-25)19-5-4-6-21(11-19)33-16-20(31)13-26;1-17(2)30-25-22(15-28-30)24(27-13-18-7-9-32-10-8-18)12-23(29-25)19-5-4-6-21(11-19)33-16-20(31)14-26-3/h5-13,15,18,21,27,33H,14,16-17H2,1-4H3;10-12,14-15,17,19,21,27,32H,5-9,13,16,18H2,1-4H3,(H,28,30);5-7,12-13,15,17,19-20,26,31H,8-11,14,16H2,1-4H3;4-6,11-12,14,17-18,20,31H,7-10,13,15-16,26H2,1-3H3;4-6,11-12,15,17-18,20,26,31H,7-10,13-14,16H2,1-3H3,(H,27,29).

What are the key properties of 1-amino-3-[3-[4-[methyl(oxan-4-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-[3-[4-(heptylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(pyridin-2-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-(oxan-4-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol?

1-amino-3-[3-[4-[methyl(oxan-4-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-[3-[4-(heptylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(pyridin-2-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-(oxan-4-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol has a molecular weight of 2274.97 g/mol, XLogP of 18.66, 52 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-3-[3-[4-[methyl(oxan-4-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-[3-[4-(heptylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(pyridin-2-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-(oxan-4-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 158288395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).