tert-butyl 3-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;tert-butyl 3-[6-[1-(oxan-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;3-(6-piperidin-3-yloxypyrazin-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazole;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

C95H119BBrN21O14 — CID 162158329

About tert-butyl 3-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;tert-butyl 3-[6-[1-(oxan-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;3-(6-piperidin-3-yloxypyrazin-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazole;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

tert-butyl 3-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;tert-butyl 3-[6-[1-(oxan-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;3-(6-piperidin-3-yloxypyrazin-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazole;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine (PubChem CID 162158329) has the molecular formula C95H119BBrN21O14 and a molecular weight of 1869.85 g/mol. Its IUPAC name is tert-butyl 3-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;tert-butyl 3-[6-[1-(oxan-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;3-(6-piperidin-3-yloxypyrazin-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazole;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine.

Molecular Properties

• Compound Name: tert-butyl 3-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;tert-butyl 3-[6-[1-(oxan-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;3-(6-piperidin-3-yloxypyrazin-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazole;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• PubChem CID: 162158329
• Molecular Formula: C95H119BBrN21O14
• Molecular Weight: 1869.85 g/mol
• Exact Mass: 1867.85
• IUPAC Name: tert-butyl 3-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;tert-butyl 3-[6-[1-(oxan-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;3-(6-piperidin-3-yloxypyrazin-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazole;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• SMILES: CC(C)(C)OC(=O)N1CCCC(Oc2cncc(-c3nn(C4CCCCO4)c4ccc(Br)cc34)n2)C1.CC(C)Oc1cncc(-c2ccc3[nH]nc(-c4cncc(OC5CCCNC5)n4)c3c2)n1.CC(C)Oc1cncc(-c2ccc3c(c2)c(-c2cncc(OC4CCCN(C(=O)OC(C)(C)C)C4)n2)nn3C2CCCCO2)n1.CC(C)Oc1cncc(B2OC(C)(C)C(C)(C)O2)n1
• InChI: InChI=1S/C33H41N7O5.C26H32BrN5O4.C23H25N7O2.C13H21BN2O3/c1-21(2)43-28-18-34-16-25(36-28)22-11-12-27-24(15-22)31(38-40(27)30-10-6-7-14-42-30)26-17-35-19-29(37-26)44-23-9-8-13-39(20-23)32(41)45-33(3,4)5;1-26(2,3)36-25(33)31-11-6-7-18(16-31)35-22-15-28-14-20(29-22)24-19-13-17(27)9-10-21(19)32(30-24)23-8-4-5-12-34-23;1-14(2)31-21-12-25-10-19(27-21)15-5-6-18-17(8-15)23(30-29-18)20-11-26-13-22(28-20)32-16-4-3-7-24-9-16;1-9(2)17-11-8-15-7-10(16-11)14-18-12(3,4)13(5,6)19-14/h11-12,15-19,21,23,30H,6-10,13-14,20H2,1-5H3;9-10,13-15,18,23H,4-8,11-12,16H2,1-3H3;5-6,8,10-14,16,24H,3-4,7,9H2,1-2H3,(H,29,30);7-9H,1-6H3
• InChIKey: ZMDACWBJOFBMQX-UHFFFAOYSA-N
• XLogP: 16.91
• TPSA: 382.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1869.85
LogP ≤ 5	16.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;tert-butyl 3-[6-[1-(oxan-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;3-(6-piperidin-3-yloxypyrazin-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazole;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?

The IUPAC name of tert-butyl 3-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;tert-butyl 3-[6-[1-(oxan-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;3-(6-piperidin-3-yloxypyrazin-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazole;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine (CID 162158329) is tert-butyl 3-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;tert-butyl 3-[6-[1-(oxan-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;3-(6-piperidin-3-yloxypyrazin-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazole;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine.

What is the SMILES notation for tert-butyl 3-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;tert-butyl 3-[6-[1-(oxan-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;3-(6-piperidin-3-yloxypyrazin-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazole;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?

The canonical SMILES for tert-butyl 3-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;tert-butyl 3-[6-[1-(oxan-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;3-(6-piperidin-3-yloxypyrazin-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazole;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine is CC(C)(C)OC(=O)N1CCCC(Oc2cncc(-c3nn(C4CCCCO4)c4ccc(Br)cc34)n2)C1.CC(C)Oc1cncc(-c2ccc3[nH]nc(-c4cncc(OC5CCCNC5)n4)c3c2)n1.CC(C)Oc1cncc(-c2ccc3c(c2)c(-c2cncc(OC4CCCN(C(=O)OC(C)(C)C)C4)n2)nn3C2CCCCO2)n1.CC(C)Oc1cncc(B2OC(C)(C)C(C)(C)O2)n1.

What is the InChIKey of tert-butyl 3-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;tert-butyl 3-[6-[1-(oxan-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;3-(6-piperidin-3-yloxypyrazin-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazole;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?

The InChIKey is ZMDACWBJOFBMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N7O5.C26H32BrN5O4.C23H25N7O2.C13H21BN2O3/c1-21(2)43-28-18-34-16-25(36-28)22-11-12-27-24(15-22)31(38-40(27)30-10-6-7-14-42-30)26-17-35-19-29(37-26)44-23-9-8-13-39(20-23)32(41)45-33(3,4)5;1-26(2,3)36-25(33)31-11-6-7-18(16-31)35-22-15-28-14-20(29-22)24-19-13-17(27)9-10-21(19)32(30-24)23-8-4-5-12-34-23;1-14(2)31-21-12-25-10-19(27-21)15-5-6-18-17(8-15)23(30-29-18)20-11-26-13-22(28-20)32-16-4-3-7-24-9-16;1-9(2)17-11-8-15-7-10(16-11)14-18-12(3,4)13(5,6)19-14/h11-12,15-19,21,23,30H,6-10,13-14,20H2,1-5H3;9-10,13-15,18,23H,4-8,11-12,16H2,1-3H3;5-6,8,10-14,16,24H,3-4,7,9H2,1-2H3,(H,29,30);7-9H,1-6H3.

What are the key properties of tert-butyl 3-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;tert-butyl 3-[6-[1-(oxan-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;3-(6-piperidin-3-yloxypyrazin-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazole;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?

tert-butyl 3-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;tert-butyl 3-[6-[1-(oxan-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;3-(6-piperidin-3-yloxypyrazin-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazole;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine has a molecular weight of 1869.85 g/mol, XLogP of 16.91, 20 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;tert-butyl 3-[6-[1-(oxan-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;3-(6-piperidin-3-yloxypyrazin-2-yl)-5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazole;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine is sourced from PubChem (CID 162158329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).