6-bromo-N-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[4-(1-methylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl acetate;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate

C84H92BBrF2N14O8 — CID 160847593

About 6-bromo-N-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[4-(1-methylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl acetate;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate

6-bromo-N-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[4-(1-methylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl acetate;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate (PubChem CID 160847593) has the molecular formula C84H92BBrF2N14O8 and a molecular weight of 1554.46 g/mol. Its IUPAC name is 6-bromo-N-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[4-(1-methylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl acetate;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate.

Molecular Properties

• Compound Name: 6-bromo-N-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[4-(1-methylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl acetate;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate
• PubChem CID: 160847593
• Molecular Formula: C84H92BBrF2N14O8
• Molecular Weight: 1554.46 g/mol
• Exact Mass: 1552.65
• IUPAC Name: 6-bromo-N-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[4-(1-methylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl acetate;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate
• SMILES: CC(=O)OCc1c(-c2cn3ccnc3c(Nc3ccc(C4CCN(C)CC4)cc3)n2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O.CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O.CN1CCC(c2ccc(Nc3nc(Br)cn4ccnc34)cc2)CC1
• InChI: InChI=1S/C39H40FN7O3.C27H32BFN2O5.C18H20BrN5/c1-24(48)50-23-31-30(7-6-8-34(31)47-38(49)35-27(21-42-47)19-28(20-32(35)40)39(2,3)4)33-22-46-18-15-41-37(46)36(44-33)43-29-11-9-25(10-12-29)26-13-16-45(5)17-14-26;1-16(32)34-15-19-20(28-35-26(5,6)27(7,8)36-28)10-9-11-22(19)31-24(33)23-17(14-30-31)12-18(13-21(23)29)25(2,3)4;1-23-9-6-14(7-10-23)13-2-4-15(5-3-13)21-17-18-20-8-11-24(18)12-16(19)22-17/h6-12,15,18-22,26H,13-14,16-17,23H2,1-5H3,(H,43,44);9-14H,15H2,1-8H3;2-5,8,11-12,14H,6-7,9-10H2,1H3,(H,21,22)
• InChIKey: SIVPMHZXOZHZQS-UHFFFAOYSA-N
• XLogP: 15.38
• TPSA: 231.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1554.46
LogP ≤ 5	15.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[4-(1-methylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl acetate;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate?

The IUPAC name of 6-bromo-N-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[4-(1-methylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl acetate;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate (CID 160847593) is 6-bromo-N-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[4-(1-methylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl acetate;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate.

What is the SMILES notation for 6-bromo-N-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[4-(1-methylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl acetate;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate?

The canonical SMILES for 6-bromo-N-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[4-(1-methylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl acetate;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate is CC(=O)OCc1c(-c2cn3ccnc3c(Nc3ccc(C4CCN(C)CC4)cc3)n2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O.CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O.CN1CCC(c2ccc(Nc3nc(Br)cn4ccnc34)cc2)CC1.

What is the InChIKey of 6-bromo-N-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[4-(1-methylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl acetate;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate?

The InChIKey is SIVPMHZXOZHZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40FN7O3.C27H32BFN2O5.C18H20BrN5/c1-24(48)50-23-31-30(7-6-8-34(31)47-38(49)35-27(21-42-47)19-28(20-32(35)40)39(2,3)4)33-22-46-18-15-41-37(46)36(44-33)43-29-11-9-25(10-12-29)26-13-16-45(5)17-14-26;1-16(32)34-15-19-20(28-35-26(5,6)27(7,8)36-28)10-9-11-22(19)31-24(33)23-17(14-30-31)12-18(13-21(23)29)25(2,3)4;1-23-9-6-14(7-10-23)13-2-4-15(5-3-13)21-17-18-20-8-11-24(18)12-16(19)22-17/h6-12,15,18-22,26H,13-14,16-17,23H2,1-5H3,(H,43,44);9-14H,15H2,1-8H3;2-5,8,11-12,14H,6-7,9-10H2,1H3,(H,21,22).

What are the key properties of 6-bromo-N-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[4-(1-methylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl acetate;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate?

6-bromo-N-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[4-(1-methylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl acetate;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate has a molecular weight of 1554.46 g/mol, XLogP of 15.38, 14 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[4-(1-methylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl acetate;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate is sourced from PubChem (CID 160847593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).