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

C130H184BCl3N26O9 — CID 157129731

About tert-butyl N-[2-[[3-(4-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-[2-[methyl-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;4,6-dichloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine;N'-methyl-N'-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine;N'-methyl-N'-[[3-[3-methyl-4-(oxan-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-[[3-(4-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-[2-[methyl-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;4,6-dichloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine;N'-methyl-N'-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine;N'-methyl-N'-[[3-[3-methyl-4-(oxan-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 157129731) has the molecular formula C130H184BCl3N26O9 and a molecular weight of 2372.25 g/mol. Its IUPAC name is tert-butyl N-[2-[[3-(4-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-[2-[methyl-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;4,6-dichloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine;N'-methyl-N'-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine;N'-methyl-N'-[[3-[3-methyl-4-(oxan-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-[[3-(4-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-[2-[methyl-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;4,6-dichloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine;N'-methyl-N'-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine;N'-methyl-N'-[[3-[3-methyl-4-(oxan-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: 157129731
• Molecular Formula: C130H184BCl3N26O9
• Molecular Weight: 2372.25 g/mol
• Exact Mass: 2369.39
• IUPAC Name: tert-butyl N-[2-[[3-(4-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-[2-[methyl-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;4,6-dichloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine;N'-methyl-N'-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine;N'-methyl-N'-[[3-[3-methyl-4-(oxan-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: CCCN(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1.Cc1nn(C(C)C)c2nc(-c3cccc(CN(C)CCN)c3)cc(C3CCOCC3)c12.Cc1nn(C(C)C)c2nc(-c3cccc(CN(C)CCN)c3)cc(N3CCOCC3)c12.Cc1nn(C(C)C)c2nc(-c3cccc(CN(C)CCNC(=O)OC(C)(C)C)c3)cc(Cl)c12.Cc1nn(C(C)C)c2nc(-c3cccc(CN(C)CCNC(=O)OC(C)(C)C)c3)cc(N3CCOCC3)c12.Cc1nn(C(C)C)c2nc(Cl)cc(Cl)c12
• InChI: InChI=1S/C29H42N6O3.C25H34ClN5O2.C25H35N5O.C24H34N6O.C17H28BNO2.C10H11Cl2N3/c1-20(2)35-27-26(21(3)32-35)25(34-13-15-37-16-14-34)18-24(31-27)23-10-8-9-22(17-23)19-33(7)12-11-30-28(36)38-29(4,5)6;1-16(2)31-23-22(17(3)29-31)20(26)14-21(28-23)19-10-8-9-18(13-19)15-30(7)12-11-27-24(32)33-25(4,5)6;1-17(2)30-25-24(18(3)28-30)22(20-8-12-31-13-9-20)15-23(27-25)21-7-5-6-19(14-21)16-29(4)11-10-26;1-17(2)30-24-23(18(3)27-30)22(29-10-12-31-13-11-29)15-21(26-24)20-7-5-6-19(14-20)16-28(4)9-8-25;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)15-10-9(6(3)14-15)7(11)4-8(12)13-10/h8-10,17-18,20H,11-16,19H2,1-7H3,(H,30,36);8-10,13-14,16H,11-12,15H2,1-7H3,(H,27,32);5-7,14-15,17,20H,8-13,16,26H2,1-4H3;5-7,14-15,17H,8-13,16,25H2,1-4H3;8-10,12H,7,11,13H2,1-6H3;4-5H,1-3H3
• InChIKey: AIXPCCLLVSYDGT-UHFFFAOYSA-N
• XLogP: 24.32
• TPSA: 351.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 35
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2372.25
LogP ≤ 5	24.32
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-[[3-(4-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-[2-[methyl-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;4,6-dichloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine;N'-methyl-N'-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine;N'-methyl-N'-[[3-[3-methyl-4-(oxan-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-[[3-(4-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-[2-[methyl-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;4,6-dichloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine;N'-methyl-N'-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine;N'-methyl-N'-[[3-[3-methyl-4-(oxan-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 157129731) is tert-butyl N-[2-[[3-(4-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-[2-[methyl-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;4,6-dichloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine;N'-methyl-N'-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine;N'-methyl-N'-[[3-[3-methyl-4-(oxan-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-[[3-(4-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-[2-[methyl-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;4,6-dichloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine;N'-methyl-N'-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine;N'-methyl-N'-[[3-[3-methyl-4-(oxan-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-[[3-(4-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-[2-[methyl-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;4,6-dichloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine;N'-methyl-N'-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine;N'-methyl-N'-[[3-[3-methyl-4-(oxan-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 CCCN(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1.Cc1nn(C(C)C)c2nc(-c3cccc(CN(C)CCN)c3)cc(C3CCOCC3)c12.Cc1nn(C(C)C)c2nc(-c3cccc(CN(C)CCN)c3)cc(N3CCOCC3)c12.Cc1nn(C(C)C)c2nc(-c3cccc(CN(C)CCNC(=O)OC(C)(C)C)c3)cc(Cl)c12.Cc1nn(C(C)C)c2nc(-c3cccc(CN(C)CCNC(=O)OC(C)(C)C)c3)cc(N3CCOCC3)c12.Cc1nn(C(C)C)c2nc(Cl)cc(Cl)c12.

What is the InChIKey of tert-butyl N-[2-[[3-(4-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-[2-[methyl-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;4,6-dichloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine;N'-methyl-N'-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine;N'-methyl-N'-[[3-[3-methyl-4-(oxan-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 AIXPCCLLVSYDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N6O3.C25H34ClN5O2.C25H35N5O.C24H34N6O.C17H28BNO2.C10H11Cl2N3/c1-20(2)35-27-26(21(3)32-35)25(34-13-15-37-16-14-34)18-24(31-27)23-10-8-9-22(17-23)19-33(7)12-11-30-28(36)38-29(4,5)6;1-16(2)31-23-22(17(3)29-31)20(26)14-21(28-23)19-10-8-9-18(13-19)15-30(7)12-11-27-24(32)33-25(4,5)6;1-17(2)30-25-24(18(3)28-30)22(20-8-12-31-13-9-20)15-23(27-25)21-7-5-6-19(14-21)16-29(4)11-10-26;1-17(2)30-24-23(18(3)27-30)22(29-10-12-31-13-11-29)15-21(26-24)20-7-5-6-19(14-20)16-28(4)9-8-25;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)15-10-9(6(3)14-15)7(11)4-8(12)13-10/h8-10,17-18,20H,11-16,19H2,1-7H3,(H,30,36);8-10,13-14,16H,11-12,15H2,1-7H3,(H,27,32);5-7,14-15,17,20H,8-13,16,26H2,1-4H3;5-7,14-15,17H,8-13,16,25H2,1-4H3;8-10,12H,7,11,13H2,1-6H3;4-5H,1-3H3.

What are the key properties of tert-butyl N-[2-[[3-(4-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-[2-[methyl-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;4,6-dichloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine;N'-methyl-N'-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine;N'-methyl-N'-[[3-[3-methyl-4-(oxan-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-[[3-(4-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-[2-[methyl-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;4,6-dichloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine;N'-methyl-N'-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine;N'-methyl-N'-[[3-[3-methyl-4-(oxan-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 2372.25 g/mol, XLogP of 24.32, 35 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[[3-(4-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-[2-[methyl-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;4,6-dichloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine;N'-methyl-N'-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine;N'-methyl-N'-[[3-[3-methyl-4-(oxan-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 157129731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).