tert-butyl N-[2-[methyl-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;N'-[[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]-N'-methylethane-1,2-diamine;4,6-dichloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;bis(N'-methyl-N'-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine);N-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine

C119H165BCl3N27O7 — CID 160809465

About tert-butyl N-[2-[methyl-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;N'-[[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]-N'-methylethane-1,2-diamine;4,6-dichloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;bis(N'-methyl-N'-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine);N-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine

tert-butyl N-[2-[methyl-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;N'-[[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]-N'-methylethane-1,2-diamine;4,6-dichloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;bis(N'-methyl-N'-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine);N-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine (PubChem CID 160809465) has the molecular formula C119H165BCl3N27O7 and a molecular weight of 2202.98 g/mol. Its IUPAC name is tert-butyl N-[2-[methyl-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;N'-[[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]-N'-methylethane-1,2-diamine;4,6-dichloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;bis(N'-methyl-N'-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine);N-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

• Compound Name: tert-butyl N-[2-[methyl-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;N'-[[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]-N'-methylethane-1,2-diamine;4,6-dichloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;bis(N'-methyl-N'-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine);N-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine
• PubChem CID: 160809465
• Molecular Formula: C119H165BCl3N27O7
• Molecular Weight: 2202.98 g/mol
• Exact Mass: 2200.25
• IUPAC Name: tert-butyl N-[2-[methyl-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;N'-[[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]-N'-methylethane-1,2-diamine;4,6-dichloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;bis(N'-methyl-N'-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine);N-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine
• SMILES: CC(C)n1ncc2c(Cl)cc(-c3cccc(CN(C)CCN)c3)nc21.CC(C)n1ncc2c(Cl)cc(Cl)nc21.CC(C)n1ncc2c(N3CCOCC3)cc(-c3cccc(CN(C)CCN)c3)nc21.CC(C)n1ncc2c(N3CCOCC3)cc(-c3cccc(CN(C)CCN)c3)nc21.CC(C)n1ncc2c(N3CCOCC3)cc(-c3cccc(CN(C)CCNC(=O)OC(C)(C)C)c3)nc21.CCCN(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1
• InChI: InChI=1S/C28H40N6O3.2C23H32N6O.C19H24ClN5.C17H28BNO2.C9H9Cl2N3/c1-20(2)34-26-23(18-30-34)25(33-12-14-36-15-13-33)17-24(31-26)22-9-7-8-21(16-22)19-32(6)11-10-29-27(35)37-28(3,4)5;2*1-17(2)29-23-20(15-25-29)22(28-9-11-30-12-10-28)14-21(26-23)19-6-4-5-18(13-19)16-27(3)8-7-24;1-13(2)25-19-16(11-22-25)17(20)10-18(23-19)15-6-4-5-14(9-15)12-24(3)8-7-21;1-7-11-19(6)13-14-9-8-10-15(12-14)18-20-16(2,3)17(4,5)21-18;1-5(2)14-9-6(4-12-14)7(10)3-8(11)13-9/h7-9,16-18,20H,10-15,19H2,1-6H3,(H,29,35);2*4-6,13-15,17H,7-12,16,24H2,1-3H3;4-6,9-11,13H,7-8,12,21H2,1-3H3;8-10,12H,7,11,13H2,1-6H3;3-5H,1-2H3
• InChIKey: SECXMEOYTYNJGY-UHFFFAOYSA-N
• XLogP: 20.15
• TPSA: 342.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 34
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2202.98
LogP ≤ 5	20.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[methyl-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;N'-[[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]-N'-methylethane-1,2-diamine;4,6-dichloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;bis(N'-methyl-N'-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine);N-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine?

The IUPAC name of tert-butyl N-[2-[methyl-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;N'-[[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]-N'-methylethane-1,2-diamine;4,6-dichloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;bis(N'-methyl-N'-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine);N-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine (CID 160809465) is tert-butyl N-[2-[methyl-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;N'-[[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]-N'-methylethane-1,2-diamine;4,6-dichloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;bis(N'-methyl-N'-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine);N-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine.

What is the SMILES notation for tert-butyl N-[2-[methyl-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;N'-[[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]-N'-methylethane-1,2-diamine;4,6-dichloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;bis(N'-methyl-N'-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine);N-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine?

The canonical SMILES for tert-butyl N-[2-[methyl-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;N'-[[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]-N'-methylethane-1,2-diamine;4,6-dichloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;bis(N'-methyl-N'-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine);N-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine is CC(C)n1ncc2c(Cl)cc(-c3cccc(CN(C)CCN)c3)nc21.CC(C)n1ncc2c(Cl)cc(Cl)nc21.CC(C)n1ncc2c(N3CCOCC3)cc(-c3cccc(CN(C)CCN)c3)nc21.CC(C)n1ncc2c(N3CCOCC3)cc(-c3cccc(CN(C)CCN)c3)nc21.CC(C)n1ncc2c(N3CCOCC3)cc(-c3cccc(CN(C)CCNC(=O)OC(C)(C)C)c3)nc21.CCCN(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1.

What is the InChIKey of tert-butyl N-[2-[methyl-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;N'-[[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]-N'-methylethane-1,2-diamine;4,6-dichloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;bis(N'-methyl-N'-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine);N-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine?

The InChIKey is SECXMEOYTYNJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6O3.2C23H32N6O.C19H24ClN5.C17H28BNO2.C9H9Cl2N3/c1-20(2)34-26-23(18-30-34)25(33-12-14-36-15-13-33)17-24(31-26)22-9-7-8-21(16-22)19-32(6)11-10-29-27(35)37-28(3,4)5;2*1-17(2)29-23-20(15-25-29)22(28-9-11-30-12-10-28)14-21(26-23)19-6-4-5-18(13-19)16-27(3)8-7-24;1-13(2)25-19-16(11-22-25)17(20)10-18(23-19)15-6-4-5-14(9-15)12-24(3)8-7-21;1-7-11-19(6)13-14-9-8-10-15(12-14)18-20-16(2,3)17(4,5)21-18;1-5(2)14-9-6(4-12-14)7(10)3-8(11)13-9/h7-9,16-18,20H,10-15,19H2,1-6H3,(H,29,35);2*4-6,13-15,17H,7-12,16,24H2,1-3H3;4-6,9-11,13H,7-8,12,21H2,1-3H3;8-10,12H,7,11,13H2,1-6H3;3-5H,1-2H3.

What are the key properties of tert-butyl N-[2-[methyl-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;N'-[[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]-N'-methylethane-1,2-diamine;4,6-dichloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;bis(N'-methyl-N'-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine);N-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine?

tert-butyl N-[2-[methyl-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;N'-[[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]-N'-methylethane-1,2-diamine;4,6-dichloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;bis(N'-methyl-N'-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine);N-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine has a molecular weight of 2202.98 g/mol, XLogP of 20.15, 34 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[methyl-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;N'-[[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]-N'-methylethane-1,2-diamine;4,6-dichloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;bis(N'-methyl-N'-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine);N-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 160809465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).