acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C81H97BBr4N24O9 — CID 163758294

About acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 163758294) has the molecular formula C81H97BBr4N24O9 and a molecular weight of 1881.25 g/mol. Its IUPAC name is acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• PubChem CID: 163758294
• Molecular Formula: C81H97BBr4N24O9
• Molecular Weight: 1881.25 g/mol
• Exact Mass: 1876.47
• IUPAC Name: acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• SMILES: C.CC(=O)OC(C)=O.CC1(C)OB(c2ccnc(N)c2)OC1(C)C.Cc1nc2ncc(-c3ccnc(N)c3)nc2n1-c1ccc(N2CCOCC2)cc1.Cc1nc2ncc(Br)nc2n1-c1ccc(N2CCOCC2)cc1.Nc1ccc(N2CCOCC2)cc1.Nc1ncc(Br)nc1Br.Nc1ncc(Br)nc1Nc1ccc(N2CCOCC2)cc1
• InChI: InChI=1S/C21H21N7O.C16H16BrN5O.C14H16BrN5O.C11H17BN2O2.C10H14N2O.C4H3Br2N3.C4H6O3.CH4/c1-14-25-20-21(26-18(13-24-20)15-6-7-23-19(22)12-15)28(14)17-4-2-16(3-5-17)27-8-10-29-11-9-27;1-11-19-15-16(20-14(17)10-18-15)22(11)13-4-2-12(3-5-13)21-6-8-23-9-7-21;15-12-9-17-13(16)14(19-12)18-10-1-3-11(4-2-10)20-5-7-21-8-6-20;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;5-2-1-8-4(7)3(6)9-2;1-3(5)7-4(2)6;/h2-7,12-13H,8-11H2,1H3,(H2,22,23);2-5,10H,6-9H2,1H3;1-4,9H,5-8H2,(H2,16,17)(H,18,19);5-7H,1-4H3,(H2,13,14);1-4H,5-8,11H2;1H,(H2,7,8);1-2H3;1H4
• InChIKey: LVZHQURVOWPWBO-UHFFFAOYSA-N
• XLogP: 12.11
• TPSA: 418.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 10
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1881.25
LogP ≤ 5	12.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The IUPAC name of acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 163758294) is acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

What is the SMILES notation for acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The canonical SMILES for acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is C.CC(=O)OC(C)=O.CC1(C)OB(c2ccnc(N)c2)OC1(C)C.Cc1nc2ncc(-c3ccnc(N)c3)nc2n1-c1ccc(N2CCOCC2)cc1.Cc1nc2ncc(Br)nc2n1-c1ccc(N2CCOCC2)cc1.Nc1ccc(N2CCOCC2)cc1.Nc1ncc(Br)nc1Br.Nc1ncc(Br)nc1Nc1ccc(N2CCOCC2)cc1.

What is the InChIKey of acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The InChIKey is LVZHQURVOWPWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O.C16H16BrN5O.C14H16BrN5O.C11H17BN2O2.C10H14N2O.C4H3Br2N3.C4H6O3.CH4/c1-14-25-20-21(26-18(13-24-20)15-6-7-23-19(22)12-15)28(14)17-4-2-16(3-5-17)27-8-10-29-11-9-27;1-11-19-15-16(20-14(17)10-18-15)22(11)13-4-2-12(3-5-13)21-6-8-23-9-7-21;15-12-9-17-13(16)14(19-12)18-10-1-3-11(4-2-10)20-5-7-21-8-6-20;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;5-2-1-8-4(7)3(6)9-2;1-3(5)7-4(2)6;/h2-7,12-13H,8-11H2,1H3,(H2,22,23);2-5,10H,6-9H2,1H3;1-4,9H,5-8H2,(H2,16,17)(H,18,19);5-7H,1-4H3,(H2,13,14);1-4H,5-8,11H2;1H,(H2,7,8);1-2H3;1H4.

What are the key properties of acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 1881.25 g/mol, XLogP of 12.11, 10 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 163758294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).