tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;tert-butyl N-[1-[6-[5-(2,6-dimethoxypyrimidin-4-yl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;tert-butyl N-[1-[6-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;4-chloro-2,6-dimethoxypyrimidine;1-[6-[6-(2,6-dimethoxypyrimidin-4-yl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-4-amine

C119H150BBrClN29O17 — CID 159254556

About tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;tert-butyl N-[1-[6-[5-(2,6-dimethoxypyrimidin-4-yl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;tert-butyl N-[1-[6-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;4-chloro-2,6-dimethoxypyrimidine;1-[6-[6-(2,6-dimethoxypyrimidin-4-yl)-3H-isoindol-1-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;tert-butyl N-[1-[6-[5-(2,6-dimethoxypyrimidin-4-yl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;tert-butyl N-[1-[6-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;4-chloro-2,6-dimethoxypyrimidine;1-[6-[6-(2,6-dimethoxypyrimidin-4-yl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-4-amine (PubChem CID 159254556) has the molecular formula C119H150BBrClN29O17 and a molecular weight of 2384.86 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;tert-butyl N-[1-[6-[5-(2,6-dimethoxypyrimidin-4-yl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;tert-butyl N-[1-[6-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;4-chloro-2,6-dimethoxypyrimidine;1-[6-[6-(2,6-dimethoxypyrimidin-4-yl)-3H-isoindol-1-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;tert-butyl N-[1-[6-[5-(2,6-dimethoxypyrimidin-4-yl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;tert-butyl N-[1-[6-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;4-chloro-2,6-dimethoxypyrimidine;1-[6-[6-(2,6-dimethoxypyrimidin-4-yl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-4-amine
• PubChem CID: 159254556
• Molecular Formula: C119H150BBrClN29O17
• Molecular Weight: 2384.86 g/mol
• Exact Mass: 2382.07
• IUPAC Name: tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;tert-butyl N-[1-[6-[5-(2,6-dimethoxypyrimidin-4-yl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;tert-butyl N-[1-[6-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;4-chloro-2,6-dimethoxypyrimidine;1-[6-[6-(2,6-dimethoxypyrimidin-4-yl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-4-amine
• SMILES: CC(C)(C)OC(=O)NC1CCN(c2cncc(-c3nn(C4CCCCO4)c4ccc(B5OC(C)(C)C(C)(C)O5)cc34)n2)CC1.CC(C)(C)OC(=O)NC1CCN(c2cncc(-c3nn(C4CCCCO4)c4ccc(Br)cc34)n2)CC1.COc1cc(-c2ccc3c(c2)C(c2cncc(N4CCC(N)CC4)n2)=NC3)nc(OC)n1.COc1cc(-c2ccc3c(c2)c(-c2cncc(N4CCC(NC(=O)OC(C)(C)C)CC4)n2)nn3C2CCCCO2)nc(OC)n1.COc1cc(Cl)nc(OC)n1
• InChI: InChI=1S/C32H45BN6O5.C32H40N8O5.C26H33BrN6O3.C23H25N7O2.C6H7ClN2O2/c1-30(2,3)42-29(40)35-22-13-15-38(16-14-22)26-20-34-19-24(36-26)28-23-18-21(33-43-31(4,5)32(6,7)44-33)11-12-25(23)39(37-28)27-10-8-9-17-41-27;1-32(2,3)45-31(41)34-21-11-13-39(14-12-21)26-19-33-18-24(35-26)29-22-16-20(23-17-27(42-4)37-30(36-23)43-5)9-10-25(22)40(38-29)28-8-6-7-15-44-28;1-26(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;1-31-21-10-18(28-23(29-21)32-2)14-3-4-15-11-26-22(17(15)9-14)19-12-25-13-20(27-19)30-7-5-16(24)6-8-30;1-10-5-3-4(7)8-6(9-5)11-2/h11-12,18-20,22,27H,8-10,13-17H2,1-7H3,(H,35,40);9-10,16-19,21,28H,6-8,11-15H2,1-5H3,(H,34,41);7-8,14-16,18,23H,4-6,9-13H2,1-3H3,(H,29,34);3-4,9-10,12-13,16H,5-8,11,24H2,1-2H3;3H,1-2H3
• InChIKey: KVSLZXSXJINVTB-UHFFFAOYSA-N
• XLogP: 18.97
• TPSA: 501.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 43
• Rotatable Bonds: 23
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2384.86
LogP ≤ 5	18.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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;tert-butyl N-[1-[6-[5-(2,6-dimethoxypyrimidin-4-yl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;tert-butyl N-[1-[6-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;4-chloro-2,6-dimethoxypyrimidine;1-[6-[6-(2,6-dimethoxypyrimidin-4-yl)-3H-isoindol-1-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;tert-butyl N-[1-[6-[5-(2,6-dimethoxypyrimidin-4-yl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;tert-butyl N-[1-[6-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;4-chloro-2,6-dimethoxypyrimidine;1-[6-[6-(2,6-dimethoxypyrimidin-4-yl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-4-amine (CID 159254556) is tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;tert-butyl N-[1-[6-[5-(2,6-dimethoxypyrimidin-4-yl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;tert-butyl N-[1-[6-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;4-chloro-2,6-dimethoxypyrimidine;1-[6-[6-(2,6-dimethoxypyrimidin-4-yl)-3H-isoindol-1-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;tert-butyl N-[1-[6-[5-(2,6-dimethoxypyrimidin-4-yl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;tert-butyl N-[1-[6-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;4-chloro-2,6-dimethoxypyrimidine;1-[6-[6-(2,6-dimethoxypyrimidin-4-yl)-3H-isoindol-1-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;tert-butyl N-[1-[6-[5-(2,6-dimethoxypyrimidin-4-yl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;tert-butyl N-[1-[6-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;4-chloro-2,6-dimethoxypyrimidine;1-[6-[6-(2,6-dimethoxypyrimidin-4-yl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-4-amine is CC(C)(C)OC(=O)NC1CCN(c2cncc(-c3nn(C4CCCCO4)c4ccc(B5OC(C)(C)C(C)(C)O5)cc34)n2)CC1.CC(C)(C)OC(=O)NC1CCN(c2cncc(-c3nn(C4CCCCO4)c4ccc(Br)cc34)n2)CC1.COc1cc(-c2ccc3c(c2)C(c2cncc(N4CCC(N)CC4)n2)=NC3)nc(OC)n1.COc1cc(-c2ccc3c(c2)c(-c2cncc(N4CCC(NC(=O)OC(C)(C)C)CC4)n2)nn3C2CCCCO2)nc(OC)n1.COc1cc(Cl)nc(OC)n1.

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;tert-butyl N-[1-[6-[5-(2,6-dimethoxypyrimidin-4-yl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;tert-butyl N-[1-[6-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;4-chloro-2,6-dimethoxypyrimidine;1-[6-[6-(2,6-dimethoxypyrimidin-4-yl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-4-amine?

The InChIKey is KVSLZXSXJINVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45BN6O5.C32H40N8O5.C26H33BrN6O3.C23H25N7O2.C6H7ClN2O2/c1-30(2,3)42-29(40)35-22-13-15-38(16-14-22)26-20-34-19-24(36-26)28-23-18-21(33-43-31(4,5)32(6,7)44-33)11-12-25(23)39(37-28)27-10-8-9-17-41-27;1-32(2,3)45-31(41)34-21-11-13-39(14-12-21)26-19-33-18-24(35-26)29-22-16-20(23-17-27(42-4)37-30(36-23)43-5)9-10-25(22)40(38-29)28-8-6-7-15-44-28;1-26(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;1-31-21-10-18(28-23(29-21)32-2)14-3-4-15-11-26-22(17(15)9-14)19-12-25-13-20(27-19)30-7-5-16(24)6-8-30;1-10-5-3-4(7)8-6(9-5)11-2/h11-12,18-20,22,27H,8-10,13-17H2,1-7H3,(H,35,40);9-10,16-19,21,28H,6-8,11-15H2,1-5H3,(H,34,41);7-8,14-16,18,23H,4-6,9-13H2,1-3H3,(H,29,34);3-4,9-10,12-13,16H,5-8,11,24H2,1-2H3;3H,1-2H3.

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;tert-butyl N-[1-[6-[5-(2,6-dimethoxypyrimidin-4-yl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;tert-butyl N-[1-[6-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;4-chloro-2,6-dimethoxypyrimidine;1-[6-[6-(2,6-dimethoxypyrimidin-4-yl)-3H-isoindol-1-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;tert-butyl N-[1-[6-[5-(2,6-dimethoxypyrimidin-4-yl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;tert-butyl N-[1-[6-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;4-chloro-2,6-dimethoxypyrimidine;1-[6-[6-(2,6-dimethoxypyrimidin-4-yl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-4-amine has a molecular weight of 2384.86 g/mol, XLogP of 18.97, 23 rotatable bonds, 4 hydrogen bond donors, and 43 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;tert-butyl N-[1-[6-[5-(2,6-dimethoxypyrimidin-4-yl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;tert-butyl N-[1-[6-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;4-chloro-2,6-dimethoxypyrimidine;1-[6-[6-(2,6-dimethoxypyrimidin-4-yl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-4-amine is sourced from PubChem (CID 159254556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).