tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[3,4-b]pyrazine;1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine

C62H71BBrF3N18O5 — CID 159521819

About tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[3,4-b]pyrazine;1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine

tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[3,4-b]pyrazine;1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine (PubChem CID 159521819) has the molecular formula C62H71BBrF3N18O5 and a molecular weight of 1296.08 g/mol. Its IUPAC name is tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[3,4-b]pyrazine;1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine.

Molecular Properties

• Compound Name: tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[3,4-b]pyrazine;1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
• PubChem CID: 159521819
• Molecular Formula: C62H71BBrF3N18O5
• Molecular Weight: 1296.08 g/mol
• Exact Mass: 1294.51
• IUPAC Name: tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[3,4-b]pyrazine;1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
• SMILES: CC(C)(C)OC(=O)NC1CCN(c2cncc(-c3nn(C4CCCCO4)c4ccc(Br)cc34)n2)CC1.CC1=NCc2ncc(B3OC(C)(C)C(C)(C)O3)nc21.NC1CCN(c2cncc(-c3n[nH]c4ccc(-c5cnc6n[nH]c(C(F)(F)F)c6c5)cc34)n2)CC1
• InChI: InChI=1S/C26H33BrN6O3.C23H20F3N9.C13H18BN3O2/c1-26(2,3)36-25(34)29-18-9-11-32(12-10-18)22-16-28-15-20(30-22)24-19-14-17(27)7-8-21(19)33(31-24)23-6-4-5-13-35-23;24-23(25,26)21-16-8-13(9-29-22(16)34-33-21)12-1-2-17-15(7-12)20(32-31-17)18-10-28-11-19(30-18)35-5-3-14(27)4-6-35;1-8-11-9(6-15-8)16-7-10(17-11)14-18-12(2,3)13(4,5)19-14/h7-8,14-16,18,23H,4-6,9-13H2,1-3H3,(H,29,34);1-2,7-11,14H,3-6,27H2,(H,31,32)(H,29,33,34);7H,6H2,1-5H3
• InChIKey: MBWZADIIKKLKGB-UHFFFAOYSA-N
• XLogP: 10.45
• TPSA: 276.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 8
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1296.08
LogP ≤ 5	10.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[3,4-b]pyrazine;1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine?

The IUPAC name of tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[3,4-b]pyrazine;1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine (CID 159521819) is tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[3,4-b]pyrazine;1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine.

What is the SMILES notation for tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[3,4-b]pyrazine;1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine?

The canonical SMILES for tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[3,4-b]pyrazine;1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine is CC(C)(C)OC(=O)NC1CCN(c2cncc(-c3nn(C4CCCCO4)c4ccc(Br)cc34)n2)CC1.CC1=NCc2ncc(B3OC(C)(C)C(C)(C)O3)nc21.NC1CCN(c2cncc(-c3n[nH]c4ccc(-c5cnc6n[nH]c(C(F)(F)F)c6c5)cc34)n2)CC1.

What is the InChIKey of tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[3,4-b]pyrazine;1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine?

The InChIKey is MBWZADIIKKLKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33BrN6O3.C23H20F3N9.C13H18BN3O2/c1-26(2,3)36-25(34)29-18-9-11-32(12-10-18)22-16-28-15-20(30-22)24-19-14-17(27)7-8-21(19)33(31-24)23-6-4-5-13-35-23;24-23(25,26)21-16-8-13(9-29-22(16)34-33-21)12-1-2-17-15(7-12)20(32-31-17)18-10-28-11-19(30-18)35-5-3-14(27)4-6-35;1-8-11-9(6-15-8)16-7-10(17-11)14-18-12(2,3)13(4,5)19-14/h7-8,14-16,18,23H,4-6,9-13H2,1-3H3,(H,29,34);1-2,7-11,14H,3-6,27H2,(H,31,32)(H,29,33,34);7H,6H2,1-5H3.

What are the key properties of tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[3,4-b]pyrazine;1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine?

tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[3,4-b]pyrazine;1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine has a molecular weight of 1296.08 g/mol, XLogP of 10.45, 8 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[3,4-b]pyrazine;1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine is sourced from PubChem (CID 159521819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).