tert-butyl 4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;3-ethyl-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine;4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]morpholine;3-ethyl-1-propan-2-yl-6-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridine

C98H119N25O6 — CID 158283289

About tert-butyl 4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;3-ethyl-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine;4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]morpholine;3-ethyl-1-propan-2-yl-6-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridine

tert-butyl 4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;3-ethyl-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine;4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]morpholine;3-ethyl-1-propan-2-yl-6-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridine (PubChem CID 158283289) has the molecular formula C98H119N25O6 and a molecular weight of 1743.20 g/mol. Its IUPAC name is tert-butyl 4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;3-ethyl-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine;4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]morpholine;3-ethyl-1-propan-2-yl-6-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: tert-butyl 4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;3-ethyl-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine;4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]morpholine;3-ethyl-1-propan-2-yl-6-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridine
• PubChem CID: 158283289
• Molecular Formula: C98H119N25O6
• Molecular Weight: 1743.20 g/mol
• Exact Mass: 1741.98
• IUPAC Name: tert-butyl 4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;3-ethyl-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine;4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]morpholine;3-ethyl-1-propan-2-yl-6-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridine
• SMILES: CCc1nn(C(C)C)c2nc(-c3ccn[nH]3)ccc12.CCc1nn(C2CCOCC2)c2nc(-c3ccnn3-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)ccc12.CCc1nn(C2CCOCC2)c2nc(-c3ccnn3-c3ccc(N4CCN(C)CC4)cc3)ccc12.CCc1nn(C2CCOCC2)c2nc(-c3ccnn3-c3ccc(N4CCOCC4)cc3)ccc12
• InChI: InChI=1S/C31H39N7O3.C27H33N7O.C26H30N6O2.C14H17N5/c1-5-26-25-10-11-27(33-29(25)38(34-26)24-13-20-40-21-14-24)28-12-15-32-37(28)23-8-6-22(7-9-23)35-16-18-36(19-17-35)30(39)41-31(2,3)4;1-3-24-23-8-9-25(29-27(23)34(30-24)22-11-18-35-19-12-22)26-10-13-28-33(26)21-6-4-20(5-7-21)32-16-14-31(2)15-17-32;1-2-23-22-7-8-24(28-26(22)32(29-23)21-10-15-33-16-11-21)25-9-12-27-31(25)20-5-3-19(4-6-20)30-13-17-34-18-14-30;1-4-11-10-5-6-12(13-7-8-15-17-13)16-14(10)19(18-11)9(2)3/h6-12,15,24H,5,13-14,16-21H2,1-4H3;4-10,13,22H,3,11-12,14-19H2,1-2H3;3-9,12,21H,2,10-11,13-18H2,1H3;5-9H,4H2,1-3H3,(H,15,17)
• InChIKey: GKLRMLPZAJENDQ-UHFFFAOYSA-N
• XLogP: 16.20
• TPSA: 284.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1743.20
LogP ≤ 5	16.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;3-ethyl-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine;4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]morpholine;3-ethyl-1-propan-2-yl-6-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridine?

The IUPAC name of tert-butyl 4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;3-ethyl-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine;4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]morpholine;3-ethyl-1-propan-2-yl-6-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridine (CID 158283289) is tert-butyl 4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;3-ethyl-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine;4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]morpholine;3-ethyl-1-propan-2-yl-6-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridine.

What is the SMILES notation for tert-butyl 4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;3-ethyl-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine;4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]morpholine;3-ethyl-1-propan-2-yl-6-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridine?

The canonical SMILES for tert-butyl 4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;3-ethyl-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine;4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]morpholine;3-ethyl-1-propan-2-yl-6-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridine is CCc1nn(C(C)C)c2nc(-c3ccn[nH]3)ccc12.CCc1nn(C2CCOCC2)c2nc(-c3ccnn3-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)ccc12.CCc1nn(C2CCOCC2)c2nc(-c3ccnn3-c3ccc(N4CCN(C)CC4)cc3)ccc12.CCc1nn(C2CCOCC2)c2nc(-c3ccnn3-c3ccc(N4CCOCC4)cc3)ccc12.

What is the InChIKey of tert-butyl 4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;3-ethyl-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine;4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]morpholine;3-ethyl-1-propan-2-yl-6-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridine?

The InChIKey is GKLRMLPZAJENDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N7O3.C27H33N7O.C26H30N6O2.C14H17N5/c1-5-26-25-10-11-27(33-29(25)38(34-26)24-13-20-40-21-14-24)28-12-15-32-37(28)23-8-6-22(7-9-23)35-16-18-36(19-17-35)30(39)41-31(2,3)4;1-3-24-23-8-9-25(29-27(23)34(30-24)22-11-18-35-19-12-22)26-10-13-28-33(26)21-6-4-20(5-7-21)32-16-14-31(2)15-17-32;1-2-23-22-7-8-24(28-26(22)32(29-23)21-10-15-33-16-11-21)25-9-12-27-31(25)20-5-3-19(4-6-20)30-13-17-34-18-14-30;1-4-11-10-5-6-12(13-7-8-15-17-13)16-14(10)19(18-11)9(2)3/h6-12,15,24H,5,13-14,16-21H2,1-4H3;4-10,13,22H,3,11-12,14-19H2,1-2H3;3-9,12,21H,2,10-11,13-18H2,1H3;5-9H,4H2,1-3H3,(H,15,17).

What are the key properties of tert-butyl 4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;3-ethyl-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine;4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]morpholine;3-ethyl-1-propan-2-yl-6-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridine?

tert-butyl 4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;3-ethyl-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine;4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]morpholine;3-ethyl-1-propan-2-yl-6-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridine has a molecular weight of 1743.20 g/mol, XLogP of 16.20, 18 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;3-ethyl-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine;4-[4-[5-[3-ethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]phenyl]morpholine;3-ethyl-1-propan-2-yl-6-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 158283289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).