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

C62H80BBrN16O7 — CID 159174099

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

tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;1-[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine (PubChem CID 159174099) has the molecular formula C62H80BBrN16O7 and a molecular weight of 1252.14 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;1-[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine.

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;1-[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• PubChem CID: 159174099
• Molecular Formula: C62H80BBrN16O7
• Molecular Weight: 1252.14 g/mol
• Exact Mass: 1250.57
• IUPAC Name: tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;1-[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• SMILES: CC(C)(C)OC(=O)NC1CCN(c2cncc(-c3nn(C4CCCCO4)c4ccc(Br)cc34)n2)CC1.CC(C)Oc1cncc(-c2ccc3[nH]nc(-c4cncc(N5CCC(N)CC5)n4)c3c2)n1.CC(C)Oc1cncc(B2OC(C)(C)C(C)(C)O2)n1
• InChI: InChI=1S/C26H33BrN6O3.C23H26N8O.C13H21BN2O3/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;1-14(2)32-22-13-26-10-19(28-22)15-3-4-18-17(9-15)23(30-29-18)20-11-25-12-21(27-20)31-7-5-16(24)6-8-31;1-9(2)17-11-8-15-7-10(16-11)14-18-12(3,4)13(5,6)19-14/h7-8,14-16,18,23H,4-6,9-13H2,1-3H3,(H,29,34);3-4,9-14,16H,5-8,24H2,1-2H3,(H,29,30);7-9H,1-6H3
• InChIKey: KMBGVDRXARKOEO-UHFFFAOYSA-N
• XLogP: 10.20
• TPSA: 266.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1252.14
LogP ≤ 5	10.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

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;1-[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?

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;1-[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine (CID 159174099) is tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;1-[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine;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 N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;1-[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?

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;1-[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine is CC(C)(C)OC(=O)NC1CCN(c2cncc(-c3nn(C4CCCCO4)c4ccc(Br)cc34)n2)CC1.CC(C)Oc1cncc(-c2ccc3[nH]nc(-c4cncc(N5CCC(N)CC5)n4)c3c2)n1.CC(C)Oc1cncc(B2OC(C)(C)C(C)(C)O2)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;1-[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?

The InChIKey is KMBGVDRXARKOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33BrN6O3.C23H26N8O.C13H21BN2O3/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;1-14(2)32-22-13-26-10-19(28-22)15-3-4-18-17(9-15)23(30-29-18)20-11-25-12-21(27-20)31-7-5-16(24)6-8-31;1-9(2)17-11-8-15-7-10(16-11)14-18-12(3,4)13(5,6)19-14/h7-8,14-16,18,23H,4-6,9-13H2,1-3H3,(H,29,34);3-4,9-14,16H,5-8,24H2,1-2H3,(H,29,30);7-9H,1-6H3.

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;1-[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?

tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;1-[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine has a molecular weight of 1252.14 g/mol, XLogP of 10.20, 12 rotatable bonds, 3 hydrogen bond donors, and 21 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;1-[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine is sourced from PubChem (CID 159174099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).