bis(4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)morpholine);2-chloroacetaldehyde;6,8-dibromoimidazo[1,2-a]pyrazine;3,5-dibromopyrazin-2-amine;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine

C82H85BBr6ClF6N21O9 — CID 160956262

IUPACbis(4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)morpholine);2-chloroacetaldehyde;6,8-dibromoimidazo[1,2-a]pyrazine;3,5-dibromopyrazin-2-amine;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine
SMILESBrc1cn2ccnc2c(Br)n1.Brc1cn2ccnc2c(N2CCOCC2)n1.Brc1cn2ccnc2c(N2CCOCC2)n1.C1COCCN1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cn2ccnc2c(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Nc1ncc(Br)nc1Br.O=CCCl
InChIInChI=1S/C25H22F3N5O2.C21H23BF3NO3.2C10H11BrN4O.C6H3Br2N3.C4H3Br2N3.C4H9NO.C2H3ClO/c1-16-5-6-19(30-24(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-33-8-7-29-22(33)23(31-21)32-9-11-35-12-10-32;1-13-9-10-16(12-17(13)22-28-19(2,3)20(4,5)29-22)26-18(27)14-7-6-8-15(11-14)21(23,24)25;2*11-8-7-15-2-1-12-9(15)10(13-8)14-3-5-16-6-4-14;7-4-3-11-2-1-9-6(11)5(8)10-4;5-2-1-8-4(7)3(6)9-2;1-3-6-4-2-5-1;3-1-2-4/h2-8,13-15H,9-12H2,1H3,(H,30,34);6-12H,1-5H3,(H,26,27);2*1-2,7H,3-6H2;1-3H;1H,(H2,7,8);5H,1-4H2;2H,1H2
InChIKeySWKTZYRQIYHQOD-UHFFFAOYSA-N
MW2148.40 g/mol
LogP15.90
Rot. Bonds10

About bis(4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)morpholine);2-chloroacetaldehyde;6,8-dibromoimidazo[1,2-a]pyrazine;3,5-dibromopyrazin-2-amine;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine

bis(4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)morpholine);2-chloroacetaldehyde;6,8-dibromoimidazo[1,2-a]pyrazine;3,5-dibromopyrazin-2-amine;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine (PubChem CID 160956262) has the molecular formula C82H85BBr6ClF6N21O9 and a molecular weight of 2148.40 g/mol. Its IUPAC name is bis(4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)morpholine);2-chloroacetaldehyde;6,8-dibromoimidazo[1,2-a]pyrazine;3,5-dibromopyrazin-2-amine;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine.

Molecular Properties

Compound Namebis(4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)morpholine);2-chloroacetaldehyde;6,8-dibromoimidazo[1,2-a]pyrazine;3,5-dibromopyrazin-2-amine;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine
PubChem CID160956262
Molecular FormulaC82H85BBr6ClF6N21O9
Molecular Weight2148.40 g/mol
Exact Mass2141.16
IUPAC Namebis(4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)morpholine);2-chloroacetaldehyde;6,8-dibromoimidazo[1,2-a]pyrazine;3,5-dibromopyrazin-2-amine;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine
SMILESBrc1cn2ccnc2c(Br)n1.Brc1cn2ccnc2c(N2CCOCC2)n1.Brc1cn2ccnc2c(N2CCOCC2)n1.C1COCCN1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cn2ccnc2c(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Nc1ncc(Br)nc1Br.O=CCCl
InChIInChI=1S/C25H22F3N5O2.C21H23BF3NO3.2C10H11BrN4O.C6H3Br2N3.C4H3Br2N3.C4H9NO.C2H3ClO/c1-16-5-6-19(30-24(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-33-8-7-29-22(33)23(31-21)32-9-11-35-12-10-32;1-13-9-10-16(12-17(13)22-28-19(2,3)20(4,5)29-22)26-18(27)14-7-6-8-15(11-14)21(23,24)25;2*11-8-7-15-2-1-12-9(15)10(13-8)14-3-5-16-6-4-14;7-4-3-11-2-1-9-6(11)5(8)10-4;5-2-1-8-4(7)3(6)9-2;1-3-6-4-2-5-1;3-1-2-4/h2-8,13-15H,9-12H2,1H3,(H,30,34);6-12H,1-5H3,(H,26,27);2*1-2,7H,3-6H2;1-3H;1H,(H2,7,8);5H,1-4H2;2H,1H2
InChIKeySWKTZYRQIYHQOD-UHFFFAOYSA-N
XLogP15.90
TPSA324.96 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds10
Heavy Atoms126
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002148.40
LogP ≤ 515.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze bis(4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)morpholine);2-chloroacetaldehyde;6,8-dibromoimidazo[1,2-a]pyrazine;3,5-dibromopyrazin-2-amine;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)morpholine);2-chloroacetaldehyde;6,8-dibromoimidazo[1,2-a]pyrazine;3,5-dibromopyrazin-2-amine;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine?
The IUPAC name of bis(4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)morpholine);2-chloroacetaldehyde;6,8-dibromoimidazo[1,2-a]pyrazine;3,5-dibromopyrazin-2-amine;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine (CID 160956262) is bis(4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)morpholine);2-chloroacetaldehyde;6,8-dibromoimidazo[1,2-a]pyrazine;3,5-dibromopyrazin-2-amine;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine.
What is the SMILES notation for bis(4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)morpholine);2-chloroacetaldehyde;6,8-dibromoimidazo[1,2-a]pyrazine;3,5-dibromopyrazin-2-amine;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine?
The canonical SMILES for bis(4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)morpholine);2-chloroacetaldehyde;6,8-dibromoimidazo[1,2-a]pyrazine;3,5-dibromopyrazin-2-amine;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine is Brc1cn2ccnc2c(Br)n1.Brc1cn2ccnc2c(N2CCOCC2)n1.Brc1cn2ccnc2c(N2CCOCC2)n1.C1COCCN1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cn2ccnc2c(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Nc1ncc(Br)nc1Br.O=CCCl.
What is the InChIKey of bis(4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)morpholine);2-chloroacetaldehyde;6,8-dibromoimidazo[1,2-a]pyrazine;3,5-dibromopyrazin-2-amine;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine?
The InChIKey is SWKTZYRQIYHQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2.C21H23BF3NO3.2C10H11BrN4O.C6H3Br2N3.C4H3Br2N3.C4H9NO.C2H3ClO/c1-16-5-6-19(30-24(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-33-8-7-29-22(33)23(31-21)32-9-11-35-12-10-32;1-13-9-10-16(12-17(13)22-28-19(2,3)20(4,5)29-22)26-18(27)14-7-6-8-15(11-14)21(23,24)25;2*11-8-7-15-2-1-12-9(15)10(13-8)14-3-5-16-6-4-14;7-4-3-11-2-1-9-6(11)5(8)10-4;5-2-1-8-4(7)3(6)9-2;1-3-6-4-2-5-1;3-1-2-4/h2-8,13-15H,9-12H2,1H3,(H,30,34);6-12H,1-5H3,(H,26,27);2*1-2,7H,3-6H2;1-3H;1H,(H2,7,8);5H,1-4H2;2H,1H2.
What are the key properties of bis(4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)morpholine);2-chloroacetaldehyde;6,8-dibromoimidazo[1,2-a]pyrazine;3,5-dibromopyrazin-2-amine;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine?
bis(4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)morpholine);2-chloroacetaldehyde;6,8-dibromoimidazo[1,2-a]pyrazine;3,5-dibromopyrazin-2-amine;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine has a molecular weight of 2148.40 g/mol, XLogP of 15.90, 10 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)morpholine);2-chloroacetaldehyde;6,8-dibromoimidazo[1,2-a]pyrazine;3,5-dibromopyrazin-2-amine;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine is sourced from PubChem (CID 160956262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).